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(3S,5S)-2-Amino-5-(4-bromo-phenyl)-3-hydroxy-3-naphthalen-2-yl-cyclopent-1-enecarbonitrile
SpectraBase Compound ID 8aRzNSJsWQW
InChI InChI=1S/C22H17BrN2O/c23-18-9-6-15(7-10-18)19-12-22(26,21(25)20(19)13-24)17-8-5-14-3-1-2-4-16(14)11-17/h1-11,19,26H,12,25H2/t19-,22-/m0/s1
InChIKey VESVUXWVNXYVNO-UGKGYDQZSA-N
Mol Weight 405.3 g/mol
Molecular Formula C22H17BrN2O
Exact Mass 404.052426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3npIWKPtqK
Name (3S,5S)-2-Amino-5-(4-bromo-phenyl)-3-hydroxy-3-naphthalen-2-yl-cyclopent-1-enecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17BrN2O
InChI InChI=1S/C22H17BrN2O/c23-18-9-6-15(7-10-18)19-12-22(26,21(25)20(19)13-24)17-8-5-14-3-1-2-4-16(14)11-17/h1-11,19,26H,12,25H2/t19-,22-/m0/s1
InChIKey VESVUXWVNXYVNO-UGKGYDQZSA-N
Molecular Weight 405.295 g/mol
SMILES O[C@@]1(C[C@](C(=C1N)C#N)(c1ccc(cc1)Br)[H])c1cc2ccccc2cc1
SPLASH splash10-052r-0219500000-8b14c0f78af6f4b32c26
Source of Spectrum KC-57-6932-2
Synonyms (3S,5S)-2-amino-5-(4-bromophenyl)-3-hydroxy-3-(2-naphthyl)-1-cyclopentene-1-carbonitrile trans-2-Amino-3-cyano-4-(4'-bromophenyl)-1-(2'-naphthyl)-2-cyclopenten-1-ol
Wiley ID 1625321