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4-Methyloctanoic acid
SpectraBase Compound ID En6rljj4Fo
InChI InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey LEGGANXCVQPIAI-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvXobmlliJu
Name 4-Methyloctanoic acid
CAS Registry Number 54947-74-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey LEGGANXCVQPIAI-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES OC(CCC(CCCC)C)=O
SPLASH splash10-0a6u-9000000000-a369105bea3f20c15dff
Source of Spectrum NP-1-8747-0
Synonyms 4-Methylcaprylic acid Octanoic acid, 4-methyl-
Wiley ID 1099803