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(3S)-1-Benzoyl-2-(N-1'(R)-phenylethyl)amino-3-butylcyclohexene
SpectraBase Compound ID ACoyxWt9g7j
InChI InChI=1S/C25H31NO/c1-3-4-12-21-17-11-18-23(25(27)22-15-9-6-10-16-22)24(21)26-19(2)20-13-7-5-8-14-20/h5-10,13-16,19,21,26H,3-4,11-12,17-18H2,1-2H3/t19-,21+/m1/s1
InChIKey PRIXFUFFAMZYMS-CTNGQTDRSA-N
Mol Weight 361.53 g/mol
Molecular Formula C25H31NO
Exact Mass 361.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6uBpKRwFVM
Name (3S)-1-Benzoyl-2-(N-1'(R)-phenylethyl)amino-3-butylcyclohexene
Alternate Name(s) ((3S)-3-butyl-2-{[(1R)-1-phenylethyl]amino}-1-cyclohexen-1-yl)(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO
InChI InChI=1S/C25H31NO/c1-3-4-12-21-17-11-18-23(25(27)22-15-9-6-10-16-22)24(21)26-19(2)20-13-7-5-8-14-20/h5-10,13-16,19,21,26H,3-4,11-12,17-18H2,1-2H3/t19-,21+/m1/s1
InChIKey PRIXFUFFAMZYMS-CTNGQTDRSA-N
Molecular Weight 361.529 g/mol
SMILES N(C1=C(C(=O)c2ccccc2)CCC[C@@]1(CCCC)[H])[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0a4i-0980000000-1ce9bedff8c40e37db12
Source of Spectrum QC-4-1661-2
Wiley ID 883374