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Nonanoic acid
SpectraBase Compound ID 9NrhMk0zU2C
InChI InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKey FBUKVWPVBMHYJY-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 5gRpOIRVd2A
Name Nonanoic acid
CAS Registry Number 112-05-0
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 158.130679818 u
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKey FBUKVWPVBMHYJY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 158.241 g/mol
Nominal Mass 158 u
Quality 904
Retention Index 1090
SMILES OC(CCCCCCCC)=O
SPLASH splash10-08ml-9100000000-c95a1ab8607e3062e814
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms nonanoic acid
Technique GC/MS
Wiley ID DD2024_005562