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2-(4-cyanoanilino)-14-keto-1-phenyl-1-azacyclotetradec-2-ene-3-carbonitrile
SpectraBase Compound ID 5FN7OAVwVfH
InChI InChI=1S/C27H30N4O/c28-20-22-16-18-24(19-17-22)30-27-23(21-29)12-8-5-3-1-2-4-6-11-15-26(32)31(27)25-13-9-7-10-14-25/h7,9-10,13-14,16-19,30H,1-6,8,11-12,15H2/b27-23+
InChIKey PNQDVVKHJPSNJX-SLEBQGDGSA-N
Mol Weight 426.56 g/mol
Molecular Formula C27H30N4O
Exact Mass 426.241962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 453a28Dc8W
Name 2-(4-cyanoanilino)-14-keto-1-phenyl-1-azacyclotetradec-2-ene-3-carbonitrile
Alternate Name(s) 2-(4-cyanoanilino)-14-oxo-1-phenyl-1-azacyclotetradec-2-ene-3-carbonitrile 2-[(4-cyanophenyl)amino]-14-oxidanylidene-1-phenyl-1-azacyclotetradec-2-ene-3-carbonitrile (2E)-2-(4-cyanoanilino)-14-oxo-1-phenyl-1-azacyclotetradec-2-ene-3-carbonitrile (2E)-2-[(4-cyanophenyl)amino]-14-oxidanylidene-1-phenyl-1-azacyclotetradec-2-ene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N4O
InChI InChI=1S/C27H30N4O/c28-20-22-16-18-24(19-17-22)30-27-23(21-29)12-8-5-3-1-2-4-6-11-15-26(32)31(27)25-13-9-7-10-14-25/h7,9-10,13-14,16-19,30H,1-6,8,11-12,15H2/b27-23+
InChIKey PNQDVVKHJPSNJX-SLEBQGDGSA-N
Molecular Weight 426.564 g/mol
SMILES N(\C=1N(C(=O)CCCCCCCCCCC/1C#N)c1ccccc1)c1ccc(C#N)cc1
SPLASH splash10-0g2a-1591300000-fd214d88003e55007cf9
Source of Spectrum F-52-4375-17
Wiley ID 796044