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Hexanedioic acid, 3-methyl-, dimethyl ester
SpectraBase Compound ID H10v2aCQdRU
InChI InChI=1S/C9H16O4/c1-7(6-9(11)13-3)4-5-8(10)12-2/h7H,4-6H2,1-3H3
InChIKey HOUQYONBQJFBPF-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1W9uZbwBzhK
Name Hexanedioic acid, 3-methyl-, dimethyl ester
CAS Registry Number 54576-13-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-7(6-9(11)13-3)4-5-8(10)12-2/h7H,4-6H2,1-3H3
InChIKey HOUQYONBQJFBPF-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES C(=O)(OC)CCC(C)CC(=O)OC
SPLASH splash10-0axr-9500000000-a421c3b322fe212aca00
Source of Spectrum Va-0-0-0
Synonyms Dimethyl 3-methylhexanedioate 3-Methyladipic acid dimethyl ester
Wiley ID 742905