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5,5-dimethyl-3-(4-methylpent-4-enyl)cyclohex-2-en-1-one
SpectraBase Compound ID 5wx2XJptDWL
InChI InChI=1S/C14H22O/c1-11(2)6-5-7-12-8-13(15)10-14(3,4)9-12/h8H,1,5-7,9-10H2,2-4H3
InChIKey SDPXLVBDKWLTRU-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFts7UjnhCU
Name 5,5-dimethyl-3-(4-methylpent-4-enyl)cyclohex-2-en-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.167065327 u
Formula C14H22O
InChI InChI=1S/C14H22O/c1-11(2)6-5-7-12-8-13(15)10-14(3,4)9-12/h8H,1,5-7,9-10H2,2-4H3
InChIKey SDPXLVBDKWLTRU-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710441
Molecular Weight 206.329 g/mol
Quality 303
Reported Formula C14H22O
SMILES CC(CCCC1=CC(CC(C1)(C)C)=O)=C
SPLASH splash10-0f7o-9710000000-f1e7946d8da30e15ae23
Source of Spectrum ACI-57-SM10-S2 (DOI: 10.1002/anie.201710441)
Thin-Layer Chromatography 0.39 (Pentane/Et2O, 1:1)
Wiley ID 1891112