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Heptanedioic acid, 3-methyl-, dimethyl ester
SpectraBase Compound ID 6nGSyTfudRp
InChI InChI=1S/C10H18O4/c1-8(7-10(12)14-3)5-4-6-9(11)13-2/h8H,4-7H2,1-3H3
InChIKey HJRDWNWLAOQATD-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C10H18O4
Exact Mass 202.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bc4OOCufI
Name Heptanedioic acid, 3-methyl-, dimethyl ester
CAS Registry Number 14226-72-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O4
InChI InChI=1S/C10H18O4/c1-8(7-10(12)14-3)5-4-6-9(11)13-2/h8H,4-7H2,1-3H3
InChIKey HJRDWNWLAOQATD-UHFFFAOYSA-N
Molecular Weight 202.250 g/mol
SMILES COC(=O)CC(CCCC(=O)OC)C
SPLASH splash10-06g4-9400000000-a35f4301a4ed6c1c2edf
Source of Spectrum HE-1986-2087-0
Synonyms Dimethyl 3-methylheptanedioate Heptanedioic acid, 3-methyl-, dimethyl ester, (+)- 3-Methylheptanedioic acid dimethyl ester 3-Methylpimelic acid dimethyl ester Dimethyl 3-methylheptane-1,7-dioate
Wiley ID 1199461