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trans-4-Isopropyl-3-((E)-4-(benzyloxy)butenyl)cyclohexanone
SpectraBase Compound ID 1nKCub5afqy
InChI InChI=1S/C20H28O2/c1-16(2)20-12-11-19(21)14-18(20)10-6-7-13-22-15-17-8-4-3-5-9-17/h3-6,8-10,16,18,20H,7,11-15H2,1-2H3/b10-6+/t18-,20+/m0/s1
InChIKey JMPUVRYDTDXRAX-MQLVUKKUSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNr160Dvt16
Name trans-4-Isopropyl-3-((E)-4-(benzyloxy)butenyl)cyclohexanone
Alternate Name(s) (3R,4R)-3-[(1E)-4-(benzyloxy)-1-butenyl]-4-isopropylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-16(2)20-12-11-19(21)14-18(20)10-6-7-13-22-15-17-8-4-3-5-9-17/h3-6,8-10,16,18,20H,7,11-15H2,1-2H3/b10-6+/t18-,20+/m0/s1
InChIKey JMPUVRYDTDXRAX-MQLVUKKUSA-N
Molecular Weight 300.442 g/mol
SMILES [C@@]1([C@](CCC(C1)=O)(C(C)C)[H])(\C=C\CCOCc1ccccc1)[H]
SPLASH splash10-0006-9000000000-d55e58cd1166dfe38080
Source of Spectrum C-116-11696-1
Wiley ID 1303378