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Dimethyl sebacate

View entire compound with spectra: 5 NMR, 9 FTIR, 1 Raman, and 20 MS (GC)

Dimethyl sebacate
SpectraBase Compound ID 6CzjZXM0sly
InChI InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
InChIKey ALOUNLDAKADEEB-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 64TbHxijTul
Name Decanedioic acid, dimethyl ester
Alternate Name(s) Sebacic acid, dimethyl ester Dimethyl decane-1,10-dioate Dimethyl decanedioate Dimethyl octane-1,8-dicarboxylate Dimethyl sebacate Methyl sebacate decanedioic acid dimethyl ester AI3-00662 EINECS 203-431-4 NSC 9415
CAS Registry Number 106-79-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
InChIKey ALOUNLDAKADEEB-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES C(=O)(CCCCCCCCC(=O)OC)OC
SPLASH splash10-0adj-9410000000-05728ed390329ea059ca
Source of Spectrum JC-408-148-8
Wiley ID 1231605