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(+-)-cis-2-(N-Benzylamino)-1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]cyclopentanol
SpectraBase Compound ID EDuD5Tth4zZ
InChI InChI=1S/C21H23NO3/c23-21(12-10-16-8-9-18-19(13-16)25-15-24-18)11-4-7-20(21)22-14-17-5-2-1-3-6-17/h1-3,5-6,8-10,12-13,20,22-23H,4,7,11,14-15H2/b12-10+/t20-,21-/m0/s1
InChIKey KKUFGBHIGRWNIV-MCNMEVJKSA-N
Mol Weight 337.42 g/mol
Molecular Formula C21H23NO3
Exact Mass 337.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNuI0SOz6Xq
Name (+-)-cis-2-(N-Benzylamino)-1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]cyclopentanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO3
InChI InChI=1S/C21H23NO3/c23-21(12-10-16-8-9-18-19(13-16)25-15-24-18)11-4-7-20(21)22-14-17-5-2-1-3-6-17/h1-3,5-6,8-10,12-13,20,22-23H,4,7,11,14-15H2/b12-10+/t20-,21-/m0/s1
InChIKey KKUFGBHIGRWNIV-MCNMEVJKSA-N
Molecular Weight 337.419 g/mol
SMILES N([C@@]1([C@@](\C=C\c2cc3OCOc3cc2)(CCC1)O)[H])Cc1ccccc1
SPLASH splash10-05mp-6927000000-4e10429fd42eac1a5de1
Source of Spectrum J-58-4668-18
Synonyms (1S,2S)-1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-(benzylamino)cyclopentanol
Wiley ID 1333227