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3-(4-Methylpent-4-en-1-yl)cyclohex-2-en-1-one
SpectraBase Compound ID 9e68CWTtHUC
InChI InChI=1S/C12H18O/c1-10(2)5-3-6-11-7-4-8-12(13)9-11/h9H,1,3-8H2,2H3
InChIKey XXFBHUAJAOIUQG-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 HjOovdrLH1q
Name 3-(4-Methylpent-4-en-1-yl)cyclohex-2-en-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-10(2)5-3-6-11-7-4-8-12(13)9-11/h9H,1,3-8H2,2H3
InChIKey XXFBHUAJAOIUQG-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710441
Molecular Weight 178.275 g/mol
Quality 64
Reported Formula C12H18O
SMILES CC(CCCC1=CC(CCC1)=O)=C
SPLASH splash10-007o-9700000000-0f41da501986252e927d
Source of Spectrum ACI-57-SM9-S1 (DOI: 10.1002/anie.201710441)
Thin-Layer Chromatography 0.39 (pentane/Et2O, 1:1)
Wiley ID 1891111