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Hexanoic acid, 4-methyl-
SpectraBase Compound ID IHMWCsQbfM1
InChI InChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey DIVCBWJKVSFZKJ-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 AzoB2Senum8
Name Hexanoic acid, 4-methyl-
CAS Registry Number 52745-93-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O2
InChI InChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey DIVCBWJKVSFZKJ-UHFFFAOYSA-N
Molecular Weight 130.187 g/mol
SMILES OC(CCC(C)CC)=O
SPLASH splash10-00di-9100000000-6b6fd5a0f20c83389fee
Source of Spectrum K-114-295-0
Synonyms 4-Methylhexanoic acid (R)-(-)-4-Methylhexanoic acid EINECS 216-336-8 NSC 249817
Wiley ID 1132649