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2-Methylhexanoic acid
SpectraBase Compound ID LLNicmX8Ehd
InChI InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey CVKMFSAVYPAZTQ-UHFFFAOYSA-N
Mol Weight 130.19 g/mol
Molecular Formula C7H14O2
Exact Mass 130.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjF7fH8pw01
Name Hexanoic acid, 2-methyl-
CAS Registry Number 4536-23-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O2
InChI InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey CVKMFSAVYPAZTQ-UHFFFAOYSA-N
Molecular Weight 130.187 g/mol
SMILES OC(C(CCCC)C)=O
SPLASH splash10-00di-9000000000-c1210fa56ef443ababd3
Source of Spectrum PR-1390-0-0
Synonyms .alpha.-Methylcaproic acid 2-Hexanecarboxylic acid 2-Methyl-hexanoic acid 2-Methylcaproic acid Methylhexanoic acid BRN 1721227 EINECS 224-883-9 FEMA NO. 3191
Wiley ID 240875