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5-METHYL-1-HEXENOIC-ACID
SpectraBase Compound ID B3PFWRrECXL
InChI InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey MHPUGCYGQWGLJL-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 6FOWKlDE1jw
Name 5-Methylhexanoic acid
CAS Registry Number 628-46-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O2
InChI InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey MHPUGCYGQWGLJL-UHFFFAOYSA-N
Molecular Weight 130.187 g/mol
SMILES OC(CCCC(C)C)=O
SPLASH splash10-01vo-9000000000-5a97f48cb7cdf0a88910
Source of Spectrum PR-1448-0-0
Wiley ID 1132921