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Cyclohexanone, 3-ethenyl-4-(1-methylethyl)-2-(2-phenoxyethyl)-, (2.alpha.,3.beta.,4.alpha.)-(.+-.)-
SpectraBase Compound ID 1P1Jhr53P8N
InChI InChI=1S/C19H26O2/c1-4-16-17(14(2)3)10-11-19(20)18(16)12-13-21-15-8-6-5-7-9-15/h4-9,14,16-18H,1,10-13H2,2-3H3/t16-,17-,18+/m0/s1
InChIKey HZBSGGIRDBRRRO-OKZBNKHCSA-N
Mol Weight 286.41 g/mol
Molecular Formula C19H26O2
Exact Mass 286.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVJuAZ6s2G8
Name Cyclohexanone, 3-ethenyl-4-(1-methylethyl)-2-(2-phenoxyethyl)-, (2.alpha.,3.beta.,4.alpha.)-(.+-.)-
CAS Registry Number 68014-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O2
InChI InChI=1S/C19H26O2/c1-4-16-17(14(2)3)10-11-19(20)18(16)12-13-21-15-8-6-5-7-9-15/h4-9,14,16-18H,1,10-13H2,2-3H3/t16-,17-,18+/m0/s1
InChIKey HZBSGGIRDBRRRO-OKZBNKHCSA-N
Molecular Weight 286.415 g/mol
SMILES [C@]1([C@@](CCC([C@@]1(CCOc1ccccc1)[H])=O)(C(C)C)[H])(C=C)[H]
SPLASH splash10-0006-0900000000-7b727257bb8577800ea2
Source of Spectrum J-43-4926-0
Synonyms (2.alpha.,3.beta.,4.alpha.)-(.+-.)-3-ethenyl-4-(1-methylethyl)-2-(2-phenoxyethyl)cyclohexanone (2R,3S,4S)-4-isopropyl-2-(2-phenoxyethyl)-3-vinylcyclohexanone
Wiley ID 1290253