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(trans)-2-Phenylcyclohexyl 4-cyanobenzoate
SpectraBase Compound ID EHxBCaeBGfc
InChI InChI=1S/C20H19NO2/c21-14-15-10-12-17(13-11-15)20(22)23-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-3,6-7,10-13,18-19H,4-5,8-9H2/t18-,19+/m0/s1
InChIKey QOPQXAXVIMWSRS-RBUKOAKNSA-N
Mol Weight 305.38 g/mol
Molecular Formula C20H19NO2
Exact Mass 305.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LK5XrDSppOJ
Name (trans)-2-Phenylcyclohexyl 4-cyanobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO2
InChI InChI=1S/C20H19NO2/c21-14-15-10-12-17(13-11-15)20(22)23-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-3,6-7,10-13,18-19H,4-5,8-9H2/t18-,19+/m0/s1
InChIKey QOPQXAXVIMWSRS-RBUKOAKNSA-N
Molecular Weight 305.377 g/mol
SMILES C(O[C@]1([C@](c2ccccc2)(CCCC1)[H])[H])(c1ccc(C#N)cc1)=O
SPLASH splash10-000x-4900000000-cf162dbaecbf3d0846aa
Source of Spectrum I-79-69-4
Synonyms (1R,2S)-2-phenylcyclohexyl 4-cyanobenzoate
Wiley ID 842380