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1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester
SpectraBase Compound ID 8Yxci8a5Cqw
InChI InChI=1S/C17H22O6/c1-4-5-8-12(15(18)21-2)11-23-17(20)14-10-7-6-9-13(14)16(19)22-3/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKey BOHVBGWNGQQFBX-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C17H22O6
Exact Mass 322.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1y0b31NJBOv
Name 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester
CAS Registry Number 76644-63-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O6
InChI InChI=1S/C17H22O6/c1-4-5-8-12(15(18)21-2)11-23-17(20)14-10-7-6-9-13(14)16(19)22-3/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKey BOHVBGWNGQQFBX-UHFFFAOYSA-N
Molecular Weight 322.357 g/mol
SMILES c1(c(C(=O)OC)cccc1)C(OCC(C(=O)OC)CCCC)=O
SPLASH splash10-03di-0900000000-ae403bbb962ff95caabe
Source of Spectrum KO-7-237-1
Synonyms 2-O-(2-methoxycarbonylhexyl) 1-O-methyl benzene-1,2-dicarboxylate benzene-1,2-dicarboxylic acid O2-(2-carbomethoxyhexyl) ester O1-methyl ester benzene-1,2-dicarboxylic acid O2-(2-methoxycarbonylhexyl) ester O1-methyl ester O2-(2-methoxycarbonylhexyl) O1-methyl benzene-1,2-dicarboxylate
Wiley ID 1321592