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N-[2-(N''-(3-Methylphenyl)isocyano)phenyl]-N'-(-t-butylcarbamoyl)methyl]-N-phenylbenzamide
SpectraBase Compound ID 8v4hQLd5VGb
InChI InChI=1S/C28H30N4O2/c1-20-12-11-13-22(18-20)29-19-30-25-17-10-9-16-24(25)26(27(34)31-28(3,4)5)32(21(2)33)23-14-7-6-8-15-23/h6-18,26H,1-5H3,(H,31,34)
InChIKey XTXKBVJEASUGEA-UHFFFAOYSA-N
Mol Weight 454.57 g/mol
Molecular Formula C28H30N4O2
Exact Mass 454.236876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hsQgN5CWDd
Name N-[2-(N''-(3-Methylphenyl)isocyano)phenyl]-N'-(-t-butylcarbamoyl)methyl]-N-phenylbenzamide
Alternate Name(s) 2-(N-acetylanilino)-N-tert-butyl-2-[2-[(3-methylphenyl)iminomethylideneamino]phenyl]acetamide N-tert-butyl-2-[ethanoyl(phenyl)amino]-2-[2-[(3-methylphenyl)iminomethylideneamino]phenyl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30N4O2
InChI InChI=1S/C28H30N4O2/c1-20-12-11-13-22(18-20)29-19-30-25-17-10-9-16-24(25)26(27(34)31-28(3,4)5)32(21(2)33)23-14-7-6-8-15-23/h6-18,26H,1-5H3,(H,31,34)
InChIKey XTXKBVJEASUGEA-UHFFFAOYSA-N
Molecular Weight 454.574 g/mol
SMILES N(C(C(N(C(=O)C)c1ccccc1)c1c(N=C=Nc2cc(C)ccc2)cccc1)=O)C(C)(C)C
SPLASH splash10-053u-3950000000-9a46ff46c36ffd745df9
Source of Spectrum U1-2010-1094-3w
Wiley ID 1663380