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s-trans-(2E)-2-(4-Nitrophenylamino)-14-oxo-1-phenyl-1-azacyclotetradec-2-ene-3-carbonitrile
SpectraBase Compound ID ANqXiqzDQse
InChI InChI=1S/C26H30N4O3/c27-20-21-12-8-5-3-1-2-4-6-11-15-25(31)29(23-13-9-7-10-14-23)26(21)28-22-16-18-24(19-17-22)30(32)33/h7,9-10,13-14,16-19,28H,1-6,8,11-12,15H2/b26-21+
InChIKey FOROYUYJZCGDEP-YYADALCUSA-N
Mol Weight 446.55 g/mol
Molecular Formula C26H30N4O3
Exact Mass 446.231791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YLJfmwgnSk
Name s-trans-(2E)-2-(4-Nitrophenylamino)-14-oxo-1-phenyl-1-azacyclotetradec-2-ene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N4O3
InChI InChI=1S/C26H30N4O3/c27-20-21-12-8-5-3-1-2-4-6-11-15-25(31)29(23-13-9-7-10-14-23)26(21)28-22-16-18-24(19-17-22)30(32)33/h7,9-10,13-14,16-19,28H,1-6,8,11-12,15H2/b26-21+
InChIKey FOROYUYJZCGDEP-YYADALCUSA-N
Molecular Weight 446.551 g/mol
SMILES N(\C=1N(C(=O)CCCCCCCCCCC/1C#N)c1ccccc1)c1ccc(N(=O)=O)cc1
SPLASH splash10-000l-3390000000-9c76b01a1d6db302ed63
Source of Spectrum F-52-4374-16
Synonyms 2-(4-nitroanilino)-14-oxo-1-phenylazacyclotetradec-2-ene-3-carbonitrile
Wiley ID 796045