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4-Methylheptanoic Acid
SpectraBase Compound ID JnV7JPWvbQ6
InChI InChI=1S/C8H16O2/c1-3-4-7(2)5-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKey LXHFVSWWDNNDPW-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52QGQ7CSykm
Name 4-Methylheptanoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-3-4-7(2)5-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKey LXHFVSWWDNNDPW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.201600020
Molecular Weight 144.214 g/mol
SMILES OC(CCC(CCC)C)=O
SPLASH splash10-059x-9200000000-97f917c4d4c38c59f33d
Source of Spectrum CBD-13-1219-30
Wiley ID 1803578