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4-Benzamido-1-benzoyl-3-propargyl-2,4-bis(4-tolyl)-1-azabuta-1,3-diene
SpectraBase Compound ID F57GCS1u0y0
InChI InChI=1S/C34H28N2O2/c1-4-11-30(31(26-20-16-24(2)17-21-26)35-33(37)28-12-7-5-8-13-28)32(27-22-18-25(3)19-23-27)36-34(38)29-14-9-6-10-15-29/h1,5-10,12-23H,11H2,2-3H3,(H,35,37)/b31-30+,36-32+
InChIKey FJUZERARBDQMHY-QXLXMZJHSA-N
Mol Weight 496.6 g/mol
Molecular Formula C34H28N2O2
Exact Mass 496.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Tco773vMop
Name 4-Benzamido-1-benzoyl-3-propargyl-2,4-bis(4-tolyl)-1-azabuta-1,3-diene
Alternate Name(s) N-[(E,2E)-2-[(benzoylamino)(4-methylphenyl)methylene]-1-(4-methylphenyl)-4-pentynylidene]benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H28N2O2
InChI InChI=1S/C34H28N2O2/c1-4-11-30(31(26-20-16-24(2)17-21-26)35-33(37)28-12-7-5-8-13-28)32(27-22-18-25(3)19-23-27)36-34(38)29-14-9-6-10-15-29/h1,5-10,12-23H,11H2,2-3H3,(H,35,37)/b31-30+,36-32+
InChIKey FJUZERARBDQMHY-QXLXMZJHSA-N
Molecular Weight 496.610 g/mol
SMILES N(\C(=C\(\C(=N\C(=O)c1ccccc1)c1ccc(cc1)C)CC#C)c1ccc(cc1)C)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-efec0f25d6c26a731520
Source of Spectrum SO-0-138-7
Wiley ID 873232