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(5R,6S)-6-[(S)-Hydroxy(phenyl)methyl]-5-isopropyl-2-methylcyclohex-2-enone
SpectraBase Compound ID 7XTqVNEgn20
InChI InChI=1S/C17H22O2/c1-11(2)14-10-9-12(3)16(18)15(14)17(19)13-7-5-4-6-8-13/h4-9,11,14-15,17,19H,10H2,1-3H3/t14-,15-,17-/m1/s1
InChIKey LQGORZRSCUQSBC-BFYDXBDKSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2J1tldCgrI
Name (5R,6S)-6-[(S)-Hydroxy(phenyl)methyl]-5-isopropyl-2-methylcyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-11(2)14-10-9-12(3)16(18)15(14)17(19)13-7-5-4-6-8-13/h4-9,11,14-15,17,19H,10H2,1-3H3/t14-,15-,17-/m1/s1
InChIKey LQGORZRSCUQSBC-BFYDXBDKSA-N
Molecular Weight 258.361 g/mol
SMILES O[C@@]([C@]1(C(C(C)=CC[C@@]1(C(C)C)[H])=O)[H])(c1ccccc1)[H]
SPLASH splash10-0a7i-9700000000-9a2b60a461c0d3556390
Source of Spectrum F4-41-3945-14a
Wiley ID 1673214