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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 1bkFycySzA
Name 1-Octen-3-one
Alternate Name(s) Octen-3-one<1->
CAS Registry Number 4312-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
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
SMILES C(C(C=C)=O)CCCC
SPLASH splash10-05fr-9000000000-c2cb317fd03c88bb2380
Source ex BEDOUKIAN RES.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887747