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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 KlYHcErO1HJ
Name Octen-3-one <1->
CAS Registry Number 4312-99-6
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
Molecular Weight 126.199 g/mol
Number of Peaks 33
RI1 973
SMILES CCCCCC(=O)C=C
SPLASH splash10-05fr-9000000000-29b77fd56b2165ed6ce8
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1-Octen-3-one
Wiley ID LM_FFNSC3_2907