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1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester
SpectraBase Compound ID G5OV03oMt7g
InChI InChI=1S/C17H24O5/c1-3-13(8-6-7-11-18)12-22-17(20)15-10-5-4-9-14(15)16(19)21-2/h4-5,9-10,13,18H,3,6-8,11-12H2,1-2H3
InChIKey DPVDUBDRSBIADR-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 4ialgLEndPl
Name 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester
CAS Registry Number 76644-70-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-3-13(8-6-7-11-18)12-22-17(20)15-10-5-4-9-14(15)16(19)21-2/h4-5,9-10,13,18H,3,6-8,11-12H2,1-2H3
InChIKey DPVDUBDRSBIADR-UHFFFAOYSA-N
Molecular Weight 308.374 g/mol
SMILES OCCCCC(COC(c1c(C(=O)OC)cccc1)=O)CC
SPLASH splash10-03di-0900000000-2dead36ff316badb287a
Source of Spectrum KO-7-243-1
Synonyms 2-O-(2-ethyl-6-hydroxyhexyl) 1-O-methyl benzene-1,2-dicarboxylate benzene-1,2-dicarboxylic acid O2-(2-ethyl-6-hydroxy-hexyl) ester O1-methyl ester O2-(2-ethyl-6-hydroxy-hexyl) O1-methyl benzene-1,2-dicarboxylate O2-(2-ethyl-6-oxidanyl-hexyl) O1-methyl benzene-1,2-dicarboxylate
Wiley ID 1309780