ALPHA-HYDROXYHIPPURIC ACID(16555-77-4) Raman
Product NameALPHA-HYDROXYHIPPURIC ACID
CAS16555-77-4
Molecular FormulaC9H9NO4
Molecular Weight195.17
InChIInChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)
InChIKey GCWCVCCEIQXUQU-UHFFFAOYSA-N
SmilesC(O)(=O)C(NC(=O)C1=CC=CC=C1)O
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MassMS-NW-7248 alpha-hydroxyhippuric acid C9H9NO4 (Mass of molecular ion: 195)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.3 18.0 5.6 27.0 1.8 28.0 4.6 29.0 19.8 30.0 12.4 37.0 1.6 38.0 2.4 39.0 2.9 44.0 6.6 45.0 11.3 46.0 4.8 46.5 2.5 49.0 1.0 50.0 11.7 51.0 26.1 52.0 3.9 56.0 1.4 63.0 1.0 65.0 1.3 73.0 1.1 74.0 5.0 75.0 3.0 76.0 4.6 77.0 78.2 78.0 9.9 104.0 2.2 105.0 100.0 106.0 13.8 107.0 1.0 121.0 57.9 122.0 5.0 149.0 7.4 150.0 3.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H9 N O4 0.048 g : 0.5 ml DMSO-d6 alpha-hydroxyhippuric acid 
Assign. Shift(ppm)
A *1 13. B 9.291 C 7.926 D 7.555 E 7.484 F *1 6. G 5.64 J(B,G)=8.1HZ
Hz ppm Int.3717.29 9.302 391 3709.23 9.282 403 3172.61 7.939 845 3167.48 7.926 253 3165.53 7.921 939 3164.06 7.918 780 3154.05 7.893 32 3030.27 7.583 83 3029.05 7.580 165 3027.59 7.576 120 3023.93 7.567 119 3021.48 7.561 492 3019.53 7.556 188 3015.63 7.546 246 3014.40 7.543 437 3012.94 7.539 278 2998.78 7.504 714 2992.68 7.489 516 2991.21 7.485 1000 2985.84 7.472 180 2984.13 7.467 415 2983.15 7.465 324 2259.28 5.654 620 2251.22 5.633 624
DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
