Syringic acid(530-57-4) MS
Product NameSyringic acid
CAS530-57-4
Molecular FormulaC9H10O5
Molecular Weight198.17
InChIInChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
InChIKey JMSVCTWVEWCHDZ-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(OC)=C(O)C(OC)=C1
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MassMS-NW-2350 4-hydroxy-3,5-dimethoxybenzoic acid C9H10O5 (Mass of molecular ion: 198)
Source Temperature: 230 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 5.2 17.0 2.3 18.0 10.9 27.0 1.6 28.0 8.7 29.0 2.9 31.0 1.1 37.0 1.7 38.0 4.2 39.0 9.8 40.0 2.0 41.0 2.6 42.0 1.2 43.0 2.5 44.0 3.5 45.0 2.4 49.0 1.1 50.0 5.6 51.0 6.4 52.0 2.1 53.0 6.0 55.0 2.8 61.0 1.0 62.0 1.4 63.0 1.3 65.0 7.1 66.0 4.3 67.0 7.2 68.0 1.7 69.0 3.5 71.0 2.4 77.0 2.7 78.0 2.3 79.0 6.0 81.0 6.4 82.0 1.4 84.0 5.6 93.0 6.5 94.0 1.1 95.0 2.9 96.0 1.2 97.0 4.3 107.0 1.3 108.0 2.2 109.0 14.6 110.0 2.3 111.0 2.5 112.0 4.3 123.0 3.5 125.0 1.3 127.0 19.2 128.0 1.3 135.0 1.4 137.0 4.8 138.0 1.8 139.0 1.6 140.0 3.1 141.0 1.0 151.0 1.9 152.0 2.2 153.0 3.9 154.0 1.9 155.0 7.9 168.0 1.3 181.0 6.2 182.0 1.2 183.0 29.5 184.0 2.7 197.0 1.3 198.0 100.0 199.0 9.8 200.0 1.5 212.0 1.0
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C9 H10 O5 0.036 g : 0.5 ml DMSO-d6 4-hydroxy-3,5-dimethoxybenzoic acid 
Assign. Shift(ppm)
A 9.2 B 7.230 C 3.823 D 3.8
Hz ppm Int.648.12 7.237 411 342.70 3.827 1000 336.77 3.761 26 335.89 3.751 26
DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
