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Propanedioic acid, methyl-, dibutyl ester
SpectraBase Compound ID KwoD9boqyFR
InChI InChI=1S/C12H22O4/c1-4-6-8-15-11(13)10(3)12(14)16-9-7-5-2/h10H,4-9H2,1-3H3
InChIKey PYKIHPRFFNLVMF-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 JwqwK0QioXv
Name Propanedioic acid, methyl-, dibutyl ester
Alternate Name(s) 2-Methylmalonic acid dibutyl ester 2-Methylpropanedioic acid dibutyl ester dibutyl 2-methylpropanedioate
CAS Registry Number 52886-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-4-6-8-15-11(13)10(3)12(14)16-9-7-5-2/h10H,4-9H2,1-3H3
InChIKey PYKIHPRFFNLVMF-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES C(C(C(OCCCC)=O)C)(OCCCC)=O
SPLASH splash10-0a4i-5900000000-aed3e37ff93a6dfd273a
Source of Spectrum EP-1244-0-0
Wiley ID 1231621