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2,4-DIMETHYLHEXANEDIOIC ACID, DIMETHYL ESTER
SpectraBase Compound ID 3SCfilmbbI8
InChI InChI=1S/C10H18O4/c1-7(6-9(11)13-3)5-8(2)10(12)14-4/h7-8H,5-6H2,1-4H3
InChIKey MMDQWVHEMWGZQW-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 D3MKB6PBVXT
Name Dimethyl 2,4-dimethylhexanedioate
Alternate Name(s) (2R,4S)-2,4-Dimethyladipic acid dimethyl ester 2,4-Dimethyladipic acid dimethyl ester 2,4-Dimethylhexanedioic acid dimethyl ester
CAS Registry Number 85547-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O4
InChI InChI=1S/C10H18O4/c1-7(6-9(11)13-3)5-8(2)10(12)14-4/h7-8H,5-6H2,1-4H3
InChIKey MMDQWVHEMWGZQW-UHFFFAOYSA-N
Molecular Weight 202.250 g/mol
SMILES COC(=O)CC(CC(C(OC)=O)C)C
SPLASH splash10-052f-9100000000-6380946173d1ec397a63
Source of Spectrum W5-1989-35385-30151
Wiley ID 1199536