Product Name2,3,4-Trihydroxybenzoic acid
CAS610-02-6
Molecular FormulaC7H6O5
Molecular Weight170.12
InChIInChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChIKey BRRSNXCXLSVPFC-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(O)C(O)=C1O
Mass
MS-NW-2166 2,3,4-trihydroxybenzoic acid C7H6O5 (H2O) (Mass of molecular ion: 170)
Source Temperature: 200 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 5.2 18.0 25.1 26.0 1.0 27.0 1.9 28.0 3.8 29.0 3.7 37.0 2.6 38.0 4.6 39.0 13.4 40.0 5.3 41.0 1.0 42.0 3.3 43.0 2.1 44.0 5.3 45.0 2.0 48.0 1.0 49.0 1.2 50.0 3.9 51.0 7.2 52.0 3.1 53.0 8.1 54.0 1.0 55.0 3.0 62.0 1.8 66.0 2.6 67.0 5.3 68.0 17.2 69.0 2.7 77.0 1.9 78.0 4.7 79.0 5.0 80.0 2.2 95.0 8.3 96.0 8.3 97.0 1.4 106.0 16.3 107.0 2.5 108.0 1.9 123.0 8.8 124.0 25.6 125.0 2.6 126.0 6.5 151.0 4.1 152.0 100.0 153.0 10.4 154.0 1.2 170.0 40.6 171.0 3.2
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C7 H6 O5 | 0.038 g : 0.5 ml DMSO-d6 |
2,3,4-trihydroxybenzoic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
3926.27 9.825 24 3413.09 8.541 28 2885.50 7.221 929 2881.10 7.210 28 2876.71 7.199 1000 2561.52 6.410 881 2558.11 6.401 28 2557.13 6.399 30 2552.73 6.388 941
in DMSO-d6
KBr disc
nujol mull
2,3,4-Trihydroxybenzoic acid(610-02-6) 13C NMR Atlas of Related Products
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