3-Nitro-trans-chalcone(24721-24-2) MS
Product Name3-Nitro-trans-chalcone
CAS24721-24-2
Molecular FormulaC15H11NO3
Molecular Weight253.25
InChIInChI=1S/C15H11NO3/c17-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(11-12)16(18)19/h1-11H/b10-9+
InChIKey SMFBODMWKWBFOK-MDZDMXLPSA-N
SmilesC(C1=CC=CC=C1)(=O)/C=C/C1=CC=CC([N+]([O-])=O)=C1
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MassMS-IW-1429 trans-3-nitrochalcone C15H11NO3 (Mass of molecular ion: 253)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
27.0 1.0 39.0 2.2 50.0 6.5 51.0 15.6 52.0 2.6 62.0 1.0 63.0 3.5 74.0 2.8 75.0 4.6 76.0 10.1 77.0 48.7 78.0 4.0 89.0 3.8 90.0 1.2 101.0 3.3 102.0 17.1 103.0 2.2 105.0 50.1 106.0 4.0 118.0 3.8 129.0 6.0 130.0 4.2 131.0 1.4 146.0 2.0 148.0 2.4 151.0 1.6 152.0 3.6 153.0 1.4 165.0 3.8 166.0 1.0 176.0 23.4 177.0 6.4 178.0 25.0 179.0 9.0 180.0 4.1 189.0 1.1 190.0 1.0 191.0 1.0 205.0 2.0 206.0 26.5 207.0 11.4 208.0 5.6 223.0 1.2 225.0 11.3 226.0 1.8 236.0 44.0 237.0 8.2 252.0 27.2 253.0 100.0 254.0 17.0 255.0 1.9
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C15 H11 N O3 0.035 g : 0.5 ml CDCl3 trans-3-nitrochalcone 
Assign. Shift(ppm)
A 8.501 B 8.249 C 8.051 D 7.926 E 7.824 F 7.667 G 7.624 J 7.618 K 7.536 J(E,F)=15.6HZ 90MHZ : HSP-05-324
Hz ppm Int.3399.78 8.507 317 3397.71 8.502 517 3395.87 8.498 355 3302.49 8.264 228 3301.51 8.262 258 3300.29 8.258 239 3299.32 8.256 240 3294.31 8.243 250 3293.33 8.241 270 3292.11 8.238 263 3291.02 8.235 253 3224.49 8.069 112 3222.53 8.064 535 3221.92 8.062 495 3221.31 8.061 694 3219.85 8.057 324 3216.31 8.048 219 3214.23 8.043 853 3212.77 8.039 682 3209.47 8.031 55 3171.75 7.937 290 3170.78 7.934 211 3165.16 7.920 228 3164.06 7.918 330 3136.47 7.849 409 3120.73 7.809 646 3070.68 7.684 1000 3066.89 7.674 46 3064.21 7.668 35 3062.87 7.664 30 3054.93 7.645 728 3052.37 7.638 424 3049.44 7.631 163 3047.24 7.625 433 3044.43 7.618 610 3041.26 7.610 254 3039.92 7.607 416 3038.57 7.604 237 3036.38 7.598 341 3032.59 7.589 49 3032.23 7.588 49 3030.64 7.584 42 3030.15 7.583 42 3028.56 7.579 39 3028.08 7.577 38 3027.22 7.575 37 3026.73 7.574 35 3025.51 7.571 35 3020.14 7.557 139 3018.31 7.553 576 3016.85 7.549 286 3011.96 7.537 454 3010.62 7.534 843 3009.16 7.530 253 3007.08 7.525 76 3005.00 7.520 174 3003.30 7.515 370 3002.44 7.513 260
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1H NMR 89.56 MHz C15 H11 N O3 0.035 g : 0.5 ml CDCl3 trans-3-nitrochalcone Assign. Shift(ppm)
A 8.496 B 8.239 C 8.03 D 7.93 E 7.82 F 7.67 G 7.70 to 7.40 400MHZ : HSP-42-113
Hz ppm Int.763.06 8.521 206 761.00 8.498 368 759.31 8.479 275 744.50 8.313 156 743.31 8.300 188 742.25 8.288 157 741.13 8.276 156 736.38 8.223 200 735.19 8.209 233 734.25 8.199 204 732.94 8.184 201 726.00 8.107 334 724.25 8.087 386 722.38 8.066 226 721.44 8.056 217 720.69 8.048 216 718.69 8.025 364 716.25 7.998 559 714.06 7.973 272 712.38 7.955 274 709.94 7.927 115 709.50 7.923 107 707.56 7.901 246 706.19 7.886 328 705.00 7.872 212 696.19 7.774 697 693.63 7.745 145 692.88 7.737 144 690.63 7.712 1000 689.13 7.695 435 685.44 7.654 182 683.75 7.635 217 680.94 7.604 757 679.94 7.593 767 678.81 7.580 722 677.69 7.567 442 676.81 7.558 365 674.88 7.536 366 674.19 7.528 357 673.19 7.517 456 672.63 7.511 470 670.00 7.482 145 669.31 7.474 141 668.94 7.470 141 667.31 7.451 154 665.44 7.431 94 663.56 7.410 111
in CDCl3
liquid film
