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1-Octen-3-one

View entire compound with spectra: 3 NMR, 4 FTIR, 1 Raman, and 13 MS (GC)

1-Octen-3-one
SpectraBase Compound ID 8RViBYOsmmn
InChI InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
InChIKey KLTVSWGXIAYTHO-UHFFFAOYSA-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 2o2sDwip7Mg
Name 1-Octen-3-one
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 126.104465070 u
Formula C8H14O
InChI InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
InChIKey KLTVSWGXIAYTHO-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973N
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.4205
Molecular Weight 126.199 g/mol
Number of Peaks 10
SMILES C=CC(CCCCC)=O
SPLASH splash10-05fr-9000000000-2131bb77f058b6795591
Source of Spectrum SFA-91-454-1-Octen-3-one (DOI: 10.1002/jsfa.4205)
Wiley ID 1838658