5-Nitrofluorescein(27402-68-2) 1H NMR
Product Name5-Nitrofluorescein
CAS27402-68-2
Molecular FormulaC20H11NO7
Molecular Weight377.3
InChIInChI=1S/C20H11NO7/c22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)20(14)16-7-10(21(25)26)1-4-13(16)19(24)28-20/h1-9,22-23H
InChIKey GYWGQAIDMYGOLU-UHFFFAOYSA-N
SmilesC12(C3=C(C=C(O)C=C3)OC3=C1C=CC(O)=C3)C1=C(C=CC([N+]([O-])=O)=C1)C(=O)O2
-
MassMS-NW-9042 6-nitrofluorescein C20H11NO7 (Mass of molecular ion: 377)
Source Temperature: 230 °C Sample Temperature: 300 °C Direct, 75 eV
17.0 6.8 18.0 36.0 27.0 1.0 28.0 6.7 30.0 1.6 39.0 1.4 41.0 1.3 43.0 1.6 44.0 12.3 51.0 1.5 55.0 1.6 57.0 1.4 62.0 1.0 63.0 3.1 69.0 3.1 74.0 2.3 75.0 9.6 76.0 1.9 77.0 1.1 81.0 1.0 82.0 1.1 86.0 1.1 87.0 3.1 88.0 7.9 89.0 1.1 93.0 2.2 94.0 2.7 95.0 1.5 98.0 1.1 99.0 1.5 100.0 8.2 101.0 9.9 102.0 1.7 103.0 3.6 105.0 1.6 106.0 3.0 109.0 1.5 111.0 1.0 114.0 2.5 115.0 2.6 123.0 1.0 126.0 1.0 129.0 6.0 137.0 3.8 138.0 1.0 139.0 1.2 143.0 6.5 144.0 1.8 149.0 1.1 150.0 1.9 151.0 2.1 152.0 1.4 155.0 1.1 163.0 2.1 171.0 1.0 174.0 1.6 175.0 1.9 176.0 3.0 183.0 1.0 187.0 2.8 188.0 2.0 189.0 4.7 190.0 1.1 199.0 2.2 200.0 10.1 201.0 7.7 202.0 12.4 203.0 2.9 204.0 1.0 205.0 1.0 211.0 1.3 213.0 4.2 214.0 1.3 217.0 1.3 218.0 1.1 229.0 8.0 230.0 3.5 231.0 1.9 242.0 1.7 245.0 1.7 246.0 1.1 257.0 3.3 258.0 12.5 259.0 5.7 260.0 1.2 269.0 1.9 270.0 10.4 271.0 2.4 272.0 1.1 273.0 1.1 274.0 5.7 275.0 2.1 285.0 5.3 286.0 100.0 287.0 46.5 288.0 9.0 289.0 1.2 300.0 1.2 301.0 1.1 302.0 5.8 303.0 5.9 304.0 2.1 305.0 3.9 316.0 79.1 317.0 17.6 318.0 2.8 331.0 1.3 332.0 34.1 333.0 71.1 334.0 15.1 335.0 2.2 377.0 1.6
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C20 H11 N O7 0.021 g : 0.5 ml DMSO-d6 6-nitrofluorescein 
Assign. Shift(ppm)
A 10.23 B 8.502 C 8.271 D 8.126 E 6.719 F 6.680 G 6.567 J(B,C)=8.4HZ J(B,D)=2.0HZ J(C,D)=0.5HZ J(E,G)=2.4HZ J(F,G)=8.7HZ
Hz ppm Int.4093.32 10.243 37 4087.22 10.228 1000 3403.47 8.517 261 3401.49 8.512 251 3395.08 8.496 313 3393.10 8.491 325 3309.78 8.282 381 3309.33 8.281 346 3301.39 8.261 332 3300.78 8.260 294 3248.90 8.130 361 3248.29 8.128 352 3246.92 8.125 366 2695.31 6.745 30 2692.72 6.738 32 2692.11 6.737 36 2686.46 6.723 795 2684.02 6.716 793 2680.51 6.708 56 2679.75 6.706 54 2675.02 6.694 595 2671.36 6.685 55 2666.32 6.672 872 2633.67 6.590 36 2629.70 6.581 536 2627.26 6.574 454 2621.00 6.559 387 2618.56 6.553 367
in DMSO-d6
KBr disc
nujol mull
