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3-Benzylidene-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID 1bREcfx7IEY
InChI InChI=1S/C22H16N2O/c25-22-20(15-16-9-3-1-4-10-16)23-21(17-11-5-2-6-12-17)18-13-7-8-14-19(18)24-22/h1-15H,(H,24,25)/b20-15+
InChIKey IYLMPELEEKTREW-HMMYKYKNSA-N
Mol Weight 324.38 g/mol
Molecular Formula C22H16N2O
Exact Mass 324.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHPTls7eAiT
Name 3-Benzylidene-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
Alternate Name(s) (3E)-3-Benzylidene-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CAS Registry Number 62642-81-3
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N2O
InChI InChI=1S/C22H16N2O/c25-22-20(15-16-9-3-1-4-10-16)23-21(17-11-5-2-6-12-17)18-13-7-8-14-19(18)24-22/h1-15H,(H,24,25)/b20-15+
InChIKey IYLMPELEEKTREW-HMMYKYKNSA-N
Molecular Weight 324.383 g/mol
SMILES N1C(\C(N=C(c2c1cccc2)c1ccccc1)=C/c1ccccc1)=O
SPLASH splash10-00di-2179000000-330c3259d13f8c3900f8
Source of Spectrum W5-1989-36668-28868
Wiley ID 1323678