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trans-N-Benzyl-2-phenyl-3-tosylpiperidine
SpectraBase Compound ID 6irPJ9uWP7Z
InChI InChI=1S/C25H27NO2S/c1-20-14-16-23(17-15-20)29(27,28)24-13-8-18-26(19-21-9-4-2-5-10-21)25(24)22-11-6-3-7-12-22/h2-7,9-12,14-17,24-25H,8,13,18-19H2,1H3/t24-,25+/m0/s1
InChIKey MZIKVUNSOWPKTB-LOSJGSFVSA-N
Mol Weight 405.56 g/mol
Molecular Formula C25H27NO2S
Exact Mass 405.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMurglKmHJ6
Name trans-N-Benzyl-2-phenyl-3-tosylpiperidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27NO2S
InChI InChI=1S/C25H27NO2S/c1-20-14-16-23(17-15-20)29(27,28)24-13-8-18-26(19-21-9-4-2-5-10-21)25(24)22-11-6-3-7-12-22/h2-7,9-12,14-17,24-25H,8,13,18-19H2,1H3/t24-,25+/m0/s1
InChIKey MZIKVUNSOWPKTB-LOSJGSFVSA-N
Molecular Weight 405.556 g/mol
SMILES [C@]1(S(c2ccc(cc2)C)(=O)=O)([C@](N(Cc2ccccc2)CCC1)(c1ccccc1)[H])[H]
SPLASH splash10-0007-9070000000-a2ad735e6fb6724a2f1d
Source of Spectrum F-53-4806-13
Synonyms (2R,3S)-1-benzyl-2-phenylpiperidinyl 4-methylphenyl sulfone (2R,3S)-1-benzyl-3-[(4-methylphenyl)sulfonyl]-2-phenylpiperidine
Wiley ID 801322