Product Name3,5-Dihydroxybenzoic acid
CAS99-10-5
Molecular FormulaC7H6O4
Molecular Weight154.12
InChIInChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
InChIKey UYEMGAFJOZZIFP-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(O)=CC(O)=C1
Mass
MS-NW-1782 3,5-dihydroxybenzoic acid C7H6O4 (Mass of molecular ion: 154)
Source Temperature: 210 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 2.9 26.0 1.7 27.0 7.2 28.0 3.0 29.0 3.5 37.0 2.3 38.0 4.6 39.0 7.0 40.0 1.1 41.0 2.9 42.0 2.2 43.0 2.2 44.0 1.7 45.0 2.1 49.0 1.1 50.0 4.0 51.0 7.5 52.0 5.0 53.0 7.5 54.0 2.5 55.0 3.3 61.0 1.6 62.0 2.8 63.0 6.4 64.0 1.2 66.0 1.4 68.5 1.3 69.0 19.3 71.0 1.0 79.0 2.4 80.0 3.3 81.0 13.2 82.0 1.5 97.0 2.8 108.0 5.3 109.0 26.1 110.0 2.3 125.0 1.7 126.0 3.7 136.0 2.7 137.0 57.5 138.0 4.6 154.0 100.0 155.0 8.1 156.0 1.1
90 MHz in DMSO-d6
1H NMR | 89.56 MHz |
C7 H6 O4 | 0.036 g : 0.5 ml DMSO-d6 |
3,5-dihydroxybenzoic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
855.69 9.555 58 614.21 6.859 900 611.90 6.833 1000 580.37 6.481 259 578.15 6.456 425 575.84 6.430 204
in DMSO-d6
KBr disc
nujol mull
3,5-Dihydroxybenzoic acid(99-10-5) 13C NMR Atlas of Related Products
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