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4-Methyl-3-(pent-4-en-1-yl)cyclohex-2-en-1-one
SpectraBase Compound ID CvIzwCKZeoT
InChI InChI=1S/C12H18O/c1-3-4-5-6-11-9-12(13)8-7-10(11)2/h3,9-10H,1,4-8H2,2H3
InChIKey DQPDYINBORFCSY-UHFFFAOYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDJFUQIerXG
Name 4-Methyl-3-(pent-4-en-1-yl)cyclohex-2-en-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-3-4-5-6-11-9-12(13)8-7-10(11)2/h3,9-10H,1,4-8H2,2H3
InChIKey DQPDYINBORFCSY-UHFFFAOYSA-N
Instrument Name Agilent MS5977A MSD-Agilent 7890 B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201700837
Molecular Weight 178.275 g/mol
Quality 167
Reported Formula C12H18O
SMILES CC1C(=CC(CC1)=O)CCCC=C
SPLASH splash10-000j-5900000000-c8666ef71684c4b79801
Source of Spectrum ACI-56-SM24-9g (DOI: 10.1002/anie.201700837)
Thin-Layer Chromatography 0.30 (P/Et2O, 5:1) [UV/KMnO4]
Wiley ID 1895706