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3-(3-Methylpent-4-en-1-yl)cyclohex-2-en-1-one
SpectraBase Compound ID D5tyxG2hIju
InChI InChI=1S/C12H18O/c1-3-10(2)7-8-11-5-4-6-12(13)9-11/h3,9-10H,1,4-8H2,2H3
InChIKey AHXSERQAWITHFL-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 7TN2TV9YgcR
Name 3-(3-Methylpent-4-en-1-yl)cyclohex-2-en-1-one
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-3-10(2)7-8-11-5-4-6-12(13)9-11/h3,9-10H,1,4-8H2,2H3
InChIKey AHXSERQAWITHFL-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 210
Reported Formula C12H18O
SMILES CC(CCC1=CC(CCC1)=O)C=C
SPLASH splash10-053r-5900000000-898d576f91dfccb3c21c
Source of Spectrum ACI-56-SM31-9i (DOI: 10.1002/anie.201700837)
Thin-Layer Chromatography 0.23 (P/Et2O, 4:1) [UV/KMnO4]
Wiley ID 1895708