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(R,S)-.alpha.-1-Cyclohexen-1-yl-.beta.-hydroxy-N-(2-methylphenyl)-benzenepropanamide
SpectraBase Compound ID 6mjc6cKiqMI
InChI InChI=1S/C22H25NO2/c1-16-10-8-9-15-19(16)23-22(25)20(17-11-4-2-5-12-17)21(24)18-13-6-3-7-14-18/h3,6-11,13-15,20-21,24H,2,4-5,12H2,1H3,(H,23,25)/t20-,21-/m0/s1
InChIKey DBZIKGRYMGVOIV-SFTDATJTSA-N
Mol Weight 335.45 g/mol
Molecular Formula C22H25NO2
Exact Mass 335.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gl4jmkyAbEI
Name (R,S)-.alpha.-1-Cyclohexen-1-yl-.beta.-hydroxy-N-(2-methylphenyl)-benzenepropanamide
CAS Registry Number 67986-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO2
InChI InChI=1S/C22H25NO2/c1-16-10-8-9-15-19(16)23-22(25)20(17-11-4-2-5-12-17)21(24)18-13-6-3-7-14-18/h3,6-11,13-15,20-21,24H,2,4-5,12H2,1H3,(H,23,25)/t20-,21-/m0/s1
InChIKey DBZIKGRYMGVOIV-SFTDATJTSA-N
Molecular Weight 335.447 g/mol
SMILES O[C@]([C@@](C(Nc1c(C)cccc1)=O)(C1=CCCCC1)[H])(c1ccccc1)[H]
SPLASH splash10-00xr-0920000000-e501c655ef12a82609d8
Source of Spectrum J-46-2032-1
Synonyms (2S,3R)-2-(1-cyclohexen-1-yl)-3-hydroxy-N-(2-methylphenyl)-3-phenylpropanamide
Wiley ID 1331844