2,3-Dihydroxybenzoic acid(303-38-8) IR1
Product Name2,3-Dihydroxybenzoic acid
CAS303-38-8
Molecular FormulaC7H6O4
Molecular Weight154.12
InChIInChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)
InChIKey GLDQAMYCGOIJDV-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC(O)=C1O
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MassMS-NW-0272 2,3-dihydroxybenzoic acid C7H6O4 (Mass of molecular ion: 154)
Source Temperature: 190 °C Sample Temperature: 0 °C Direct, 75 eV
26.0 1.2 27.0 2.7 28.0 1.0 29.0 1.5 37.0 1.2 38.0 1.4 39.0 2.3 45.0 1.5 49.0 1.1 50.0 3.8 51.0 8.2 52.0 17.5 53.0 5.5 54.0 3.8 55.0 3.3 62.0 1.5 63.0 3.0 77.0 1.7 79.0 5.7 80.0 16.9 81.0 3.5 107.0 5.9 108.0 24.7 109.0 2.3 135.0 1.8 136.0 100.0 137.0 9.5 138.0 1.0 154.0 39.7 155.0 3.2
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H6 O4 0.039 g : 0.5 ml DMSO-d6 2,3-dihydroxybenzoic acid 
Assign. Shift(ppm)
A 7.285 B 7.048 C 6.751
Hz ppm Int.3735.84 9.348 26 2916.50 7.298 525 2914.79 7.294 563 2908.45 7.278 588 2906.98 7.274 580 2822.02 7.062 529 2820.31 7.057 541 2814.21 7.042 618 2812.50 7.038 581 2710.21 6.782 24 2705.81 6.771 552 2702.39 6.762 45 2697.75 6.751 1000 2693.12 6.739 38 2689.94 6.731 464
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1H NMR 89.56 MHz C7 H6 O4 0.044 g : 0.5 ml DMSO-d6 2,3-dihydroxybenzoic acid Assign. Shift(ppm)
A 13. to 8.11 B 7.267 C 7.027 D 6.744
Hz ppm Int.656.16 7.327 415 654.37 7.307 568 652.32 7.284 27 648.39 7.240 591 646.59 7.220 674 644.54 7.197 31 635.14 7.092 370 633.35 7.072 466 627.28 7.005 819 625.49 6.985 584 610.28 6.815 759 607.03 6.778 26 602.50 6.728 1000 594.64 6.640 346
in DMSO-d6
KBr disc
nujol mull
