2,4-DIHYDROXYBENZOIC ACID 2-HYDROXYETHYL ESTER(145073-32-1) IR2
Product Name2,4-DIHYDROXYBENZOIC ACID 2-HYDROXYETHYL ESTER
CAS145073-32-1
Molecular FormulaC9H10O5
Molecular Weight198.17
InChIInChI=1S/C9H10O5/c10-3-4-14-9(13)7-2-1-6(11)5-8(7)12/h1-2,5,10-12H,3-4H2
InChIKey GYMSXVSHWCOJEJ-UHFFFAOYSA-N
SmilesC(OCCO)(=O)C1=CC=C(O)C=C1O
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MassMS-IW-0833 2-hydroxyethyl 2,4-dihydroxybenzoate C9H10O5 (Mass of molecular ion: 198)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 3.0 27.0 1.7 28.0 1.1 39.0 1.1 43.0 1.1 45.0 2.2 51.0 1.4 52.0 1.8 53.0 2.4 69.0 3.9 79.0 1.0 80.0 4.5 81.0 4.7 95.0 2.4 107.0 2.2 108.0 19.8 109.0 4.2 136.0 100.0 137.0 50.6 138.0 4.4 154.0 4.4 155.0 2.3 180.0 34.4 181.0 3.7 198.0 36.4 199.0 3.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H10 O5 0.032 g : 0.5 ml DMSO-d6 2-hydroxyethyl 2,4-dihydroxybenzoate 
Assign. Shift(ppm)
A 10.77 B 10.5 C 7.733 D 6.399 E 6.321 F 4.98 G 4.290 J 3.71
Hz ppm Int.4302.76 10.767 294 4195.61 10.499 44 3094.96 7.745 850 3090.57 7.734 28 3086.36 7.723 907 2563.05 6.414 453 2560.67 6.408 507 2554.26 6.392 444 2551.88 6.386 525 2527.33 6.324 1000 2524.95 6.318 881 1719.75 4.304 578 1714.99 4.292 717 1709.86 4.279 623 1483.83 3.713 443
in DMSO-d6
KBr disc
nujol mull
