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Dimethyl 2,4-dimethyloctanedioate

View entire compound with spectra: 5 MS (GC)

Dimethyl 2,4-dimethyloctanedioate
SpectraBase Compound ID 9FxJEd9CFxo
InChI InChI=1S/C12H22O4/c1-9(6-5-7-11(13)15-3)8-10(2)12(14)16-4/h9-10H,5-8H2,1-4H3
InChIKey ARDWIKBFRMKLRR-UHFFFAOYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nF3ByzU7U
Name Dimethyl 2,4-dimethyloctanedioate
Alternate Name(s) (2S,4S)-2,4-Dimethyloctanedioic acid dimethyl ester 2,4-Dimethyloctanedioic acid dimethyl ester 2,4-Dimethylsuberic acid dimethyl ester Octanedioic acid, 2,4-dimethyl-, dimethyl ester
CAS Registry Number 85547-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-9(6-5-7-11(13)15-3)8-10(2)12(14)16-4/h9-10H,5-8H2,1-4H3
InChIKey ARDWIKBFRMKLRR-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES COC(=O)C(CC(CCCC(OC)=O)C)C
SPLASH splash10-0ap3-9300000000-1520a94b0a1996198271
Source of Spectrum W5-1989-35389-30147
Wiley ID 1231609