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2,2-Di-butyl methylmalonate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2,2-Di-butyl methylmalonate
SpectraBase Compound ID 7pFOoIAGr4J
InChI InChI=1S/C12H22O4/c1-4-6-8-12(10(13)14,9-7-5-2)11(15)16-3/h4-9H2,1-3H3,(H,13,14)
InChIKey HSDSFUASELPQFP-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 4DGCY7SW8ZE
Name 2-Butyl-2-(methoxycarbonyl)hexanoic acid
CAS Registry Number 36602-12-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-4-6-8-12(10(13)14,9-7-5-2)11(15)16-3/h4-9H2,1-3H3,(H,13,14)
InChIKey HSDSFUASELPQFP-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES OC(C(CCCC)(C(=O)OC)CCCC)=O
SPLASH splash10-0pb9-9500000000-706479dbd0cd4062ba01
Source of Spectrum NP-5-9141-0
Synonyms 2,2-Di-butyl methylmalonate 2-Butyl-2-methoxycarbonylhexanoic acid 2-Butyl-2-methoxycarbonyl-hexanoic acid
Wiley ID 1105275