9-Fluorenone-2-carboxylic acid(784-50-9) MS
Product Name9-Fluorenone-2-carboxylic acid
CAS784-50-9
Molecular FormulaC14H8O3
Molecular Weight224.21
InChIInChI=1S/C14H8O3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H,(H,16,17)
InChIKey BJCTXUUKONLPPK-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=CC=C2)C2=C1C=C(C(O)=O)C=C2
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MassMS-NW-6627 9-oxo-2-fluorenecarboxylic acid C14H8O3 (Mass of molecular ion: 224)
Source Temperature: 210 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 1.1 38.0 1.0 39.0 2.2 45.0 2.4 50.0 3.8 51.0 4.4 61.0 1.8 62.0 3.9 63.0 3.8 73.0 1.0 74.0 7.7 75.0 11.7 75.5 6.4 76.0 4.1 77.0 3.2 84.0 3.2 85.0 1.2 86.0 3.0 87.0 3.0 89.0 1.3 98.0 6.3 99.0 4.1 100.0 1.7 101.0 2.3 110.0 1.4 111.0 1.7 112.0 1.0 113.0 1.1 122.0 1.5 123.0 1.2 125.0 4.1 126.0 1.6 139.0 6.0 140.0 1.4 149.0 2.3 150.0 23.3 151.0 49.8 152.0 8.7 178.0 1.4 179.0 20.9 180.0 4.6 196.0 4.2 207.0 51.2 208.0 8.0 222.0 3.3 223.0 1.0 224.0 100.0 225.0 15.9 226.0 1.9
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H8 O3 saturated in DMSO-d6 9-oxo-2-fluorenecarboxylic acid 
Assign. Shift(ppm)
A 8.174 B 8.012 C 7.906 D 7.88 E *1 7.67 F 7.661 G *1 7.465 J(A,B)=1.5HZ J(A,C)=7.8HZ J(B,C)=0.6HZ
Hz ppm Int.3271.94 8.188 423 3270.42 8.184 423 3264.16 8.168 488 3262.63 8.164 510 3202.82 8.015 694 3201.75 8.012 677 3163.76 7.917 593 3163.30 7.916 549 3160.55 7.909 40 3155.98 7.897 565 3155.36 7.896 552 3154.60 7.894 392 3153.69 7.892 463 3152.16 7.888 159 3150.48 7.884 54 3149.72 7.882 55 3146.67 7.874 423 3145.45 7.871 385 3073.43 7.691 214 3072.36 7.688 262 3065.64 7.671 953 3061.98 7.662 72 3059.39 7.656 409 3058.01 7.652 1000 2990.88 7.484 288 2989.96 7.482 292 2986.91 7.474 33 2983.40 7.466 500 2978.67 7.454 33 2978.06 7.452 31 2975.92 7.447 215 2975.01 7.445 207
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1H NMR 89.56 MHz C14 H8 O3 0.048 g : 0.5 ml DMSO-d6 9-oxo-2-fluorenecarboxylic acid Assign. Shift(ppm)
A 13.2 B 8.152 C 7.999 D 7.86 E 7.93 to 7.33
Hz ppm Int.735.80 8.216 401 734.27 8.199 477 728.11 8.130 638 726.49 8.112 846 717.43 8.011 756 716.75 8.004 997 715.89 7.994 884 715.21 7.986 638 712.48 7.956 54 708.29 7.909 1000 707.60 7.901 965 704.02 7.861 91 702.73 7.847 157 700.60 7.823 787 700.00 7.816 858 698.80 7.803 655 693.25 7.741 266 691.63 7.723 282 689.75 7.702 186 689.06 7.694 256 688.21 7.685 284 687.27 7.674 291 686.58 7.667 286 684.88 7.648 585 682.31 7.619 782 680.60 7.600 686 678.64 7.578 478 676.84 7.558 136 675.65 7.545 59 673.51 7.521 499 672.06 7.505 471 670.43 7.486 93 668.55 7.465 106 666.85 7.446 234 665.39 7.430 272 659.24 7.361 118 658.04 7.348 117
DMSO-d6
KBr disc
nujol mull
