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Isononanoic acid
SpectraBase Compound ID EUDhFkD6Q5h
InChI InChI=1S/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey XZOYHFBNQHPJRQ-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 5NkuExG6iJ3
Name 7-Methyloctanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey XZOYHFBNQHPJRQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbic.200900126
Molecular Weight 158.241 g/mol
SMILES OC(CCCCCC(C)C)=O
SPLASH splash10-0603-9100000000-dc9627c09fbb7c337257
Source of Spectrum CBC-10-1861/SM3-2
Wiley ID 1786613