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1,2-Benzenedicarboxylic acid, 2-ethyl-5-hydroxyhexyl methyl ester
SpectraBase Compound ID 52MHr5ENpaO
InChI InChI=1S/C17H24O5/c1-4-13(10-9-12(2)18)11-22-17(20)15-8-6-5-7-14(15)16(19)21-3/h5-8,12-13,18H,4,9-11H2,1-3H3
InChIKey KJUDLAPSKFLSJL-UHFFFAOYSA-N
Mol Weight 308.37 g/mol
Molecular Formula C17H24O5
Exact Mass 308.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gRGZGlGOOO
Name 1,2-Benzenedicarboxylic acid, 2-ethyl-5-hydroxyhexyl methyl ester
CAS Registry Number 76644-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-4-13(10-9-12(2)18)11-22-17(20)15-8-6-5-7-14(15)16(19)21-3/h5-8,12-13,18H,4,9-11H2,1-3H3
InChIKey KJUDLAPSKFLSJL-UHFFFAOYSA-N
Molecular Weight 308.374 g/mol
SMILES OC(CCC(COC(c1c(C(=O)OC)cccc1)=O)CC)C
SPLASH splash10-03dj-0900000000-07603e9860c10e3b16f8
Source of Spectrum KO-7-243-1
Synonyms 2-O-(2-ethyl-5-hydroxyhexyl) 1-O-methyl benzene-1,2-dicarboxylate benzene-1,2-dicarboxylic acid O2-(2-ethyl-5-hydroxy-hexyl) ester O1-methyl ester O2-(2-ethyl-5-hydroxy-hexyl) O1-methyl benzene-1,2-dicarboxylate O2-(2-ethyl-5-oxidanyl-hexyl) O1-methyl benzene-1,2-dicarboxylate
Wiley ID 1309779