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4-Octen-3-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 8 MS (GC)

4-Octen-3-one
SpectraBase Compound ID AoPwCS8NHZJ
InChI InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey JPTOCTSNXXKSSN-VOTSOKGWSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kl8J9Y8ctZ
Name 4-Octen-3-one
CAS Registry Number 14129-48-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey JPTOCTSNXXKSSN-VOTSOKGWSA-N
Molecular Weight 126.199 g/mol
SMILES CCC(=O)\C=C\CCC
SPLASH splash10-0abc-9000000000-39e7166959a99866e2b3
Source of Spectrum Va-0-0-0
Synonyms (4E)-4-Octen-3-one (E)-4-octen-3-one (E)-oct-4-en-3-one Oct-4-en-3-one
Wiley ID 743034