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(1R*,2S*)-N-Benzyl-2-[1S*-hydroxy-2-(phenylthio)-2-propenyl]cyclopentamine
SpectraBase Compound ID EwrG2uTHC3K
InChI InChI=1S/C21H25NOS/c1-16(24-18-11-6-3-7-12-18)21(23)19-13-8-14-20(19)22-15-17-9-4-2-5-10-17/h2-7,9-12,19-23H,1,8,13-15H2/t19-,20+,21+/m0/s1
InChIKey VEKKSSKBIPWZMF-PWRODBHTSA-N
Mol Weight 339.5 g/mol
Molecular Formula C21H25NOS
Exact Mass 339.165686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LzPcAq57w
Name (1R*,2S*)-N-Benzyl-2-[1S*-hydroxy-2-(phenylthio)-2-propenyl]cyclopentamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NOS
InChI InChI=1S/C21H25NOS/c1-16(24-18-11-6-3-7-12-18)21(23)19-13-8-14-20(19)22-15-17-9-4-2-5-10-17/h2-7,9-12,19-23H,1,8,13-15H2/t19-,20+,21+/m0/s1
InChIKey VEKKSSKBIPWZMF-PWRODBHTSA-N
Molecular Weight 339.497 g/mol
SMILES N([C@]1([C@@]([C@@](C(Sc2ccccc2)=C)(O)[H])(CCC1)[H])[H])Cc1ccccc1
SPLASH splash10-01po-6190000000-81e4b082ba90e2140056
Source of Spectrum QA-45-171-13
Synonyms (1S)-1-[(1S,2R)-2-(benzylamino)cyclopentyl]-2-(phenylsulfanyl)-2-propen-1-ol
Wiley ID 862715