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1-Amino-2-cyano-5-allyloxycarbonyl-3,3-di(4-methyl-phenyl)-4-phenylcyclopentene
SpectraBase Compound ID 2oHkk2vcpC1
InChI InChI=1S/C30H28N2O2/c1-4-18-34-29(33)26-27(22-8-6-5-7-9-22)30(25(19-31)28(26)32,23-14-10-20(2)11-15-23)24-16-12-21(3)13-17-24/h4-17,26-27H,1,18,32H2,2-3H3
InChIKey WLWHTEIILQHMOF-UHFFFAOYSA-N
Mol Weight 448.57 g/mol
Molecular Formula C30H28N2O2
Exact Mass 448.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68KRk1BvTAV
Name 1-Amino-2-cyano-5-allyloxycarbonyl-3,3-di(4-methyl-phenyl)-4-phenylcyclopentene
Alternate Name(s) Allyl 2-amino-3-cyano-5-phenyl-4,4-di-p-tolylcyclopent-2-enecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28N2O2
InChI InChI=1S/C30H28N2O2/c1-4-18-34-29(33)26-27(22-8-6-5-7-9-22)30(25(19-31)28(26)32,23-14-10-20(2)11-15-23)24-16-12-21(3)13-17-24/h4-17,26-27H,1,18,32H2,2-3H3
InChIKey WLWHTEIILQHMOF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20030210123
Molecular Weight 448.566 g/mol
SMILES NC1=C(C#N)C(C(c2ccccc2)C1C(=O)OCC=C)(c1ccc(cc1)C)c1ccc(cc1)C
SPLASH splash10-0006-9000200000-256f102b7dd1f9b436e0
Source of Spectrum CJC-21-110-3g
Wiley ID 1773673