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1-Amino-2-cyano-5-methoxycarbonyl-3,3-diphenyl-[4-(4-chlorophenyl)]cyclopentene
SpectraBase Compound ID 2cxvbdnYSLy
InChI InChI=1S/C26H21ClN2O2/c1-31-25(30)22-23(17-12-14-20(27)15-13-17)26(21(16-28)24(22)29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22-23H,29H2,1H3
InChIKey TYBCHGQNJGOBTH-UHFFFAOYSA-N
Mol Weight 428.92 g/mol
Molecular Formula C26H21ClN2O2
Exact Mass 428.129156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54Bnu84IAGD
Name 1-Amino-2-cyano-5-methoxycarbonyl-3,3-diphenyl-[4-(4-chlorophenyl)]cyclopentene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21ClN2O2
InChI InChI=1S/C26H21ClN2O2/c1-31-25(30)22-23(17-12-14-20(27)15-13-17)26(21(16-28)24(22)29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22-23H,29H2,1H3
InChIKey TYBCHGQNJGOBTH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20030210123
Molecular Weight 428.919 g/mol
SMILES NC1=C(C#N)C(C(c2ccc(cc2)Cl)C1C(OC)=O)(c1ccccc1)c1ccccc1
SPLASH splash10-004i-1001900000-ca9fbcea3b55e6f3dccc
Source of Spectrum CJC-21-110-3e
Synonyms Methyl 2-amino-5-(4-chlorophenyl)-3-cyano-4,4-diphenylcyclopent-2-enecarboxylate
Wiley ID 1773671