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(Z)-3-(Hex-4-en-1-yl)cyclohex-2-en-1-one
SpectraBase Compound ID 7IaUJgniW6e
InChI InChI=1S/C12H18O/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h2-3,10H,4-9H2,1H3/b3-2-
InChIKey HHYWMYHVYAMIBK-IHWYPQMZSA-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 FrtWiIM31wA
Name (Z)-3-(Hex-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/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h2-3,10H,4-9H2,1H3/b3-2-
InChIKey HHYWMYHVYAMIBK-IHWYPQMZSA-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 269
Reported Formula C12H18O
SMILES C(CC\C=C/C)C1=CC(CCC1)=O
SPLASH splash10-02h9-8900000000-05478d0440172ce22c78
Source of Spectrum ACI-56-SM34-9j (DOI: 10.1002/anie.201700837)
Thin-Layer Chromatography 0.25 (P/Et2O, 4:1) [UV/KMnO4]
Wiley ID 1895709