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(E)-ethyl-2-((2S*,3R*)-3-butyl-2-phenylcyclohexylidene)acetate
SpectraBase Compound ID AKZi4Fgju13
InChI InChI=1S/C20H28O2/c1-3-5-10-16-13-9-14-18(15-19(21)22-4-2)20(16)17-11-7-6-8-12-17/h6-8,11-12,15-16,20H,3-5,9-10,13-14H2,1-2H3/b18-15+/t16-,20-/m1/s1
InChIKey KTAVDDQLIGCDEQ-YRRVOMKYSA-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 EPNE8UukDok
Name (E)-ethyl-2-((2S*,3R*)-3-butyl-2-phenylcyclohexylidene)acetate
Alternate Name(s) Ethyl (E)-2-((2S,3R)-3-butyl-2-phenylcyclohexylidene)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-3-5-10-16-13-9-14-18(15-19(21)22-4-2)20(16)17-11-7-6-8-12-17/h6-8,11-12,15-16,20H,3-5,9-10,13-14H2,1-2H3/b18-15+/t16-,20-/m1/s1
InChIKey KTAVDDQLIGCDEQ-YRRVOMKYSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 300.442 g/mol
SMILES C(\C=C\1[C@]([C@@](CCC1)(CCCC)[H])(c1ccccc1)[H])(=O)OCC
SPLASH splash10-0ar3-5902000000-b3b7e43c930335d2e45f
Source of Spectrum KD-52-2382/SM30-4h
Wiley ID 1803746