5H-[3,4-Dichlorobenzamido]-10,11-dihydrodibenz[B,F]azepine

SpectraBase Compound ID	GubSh9SYoNK
InChI	InChI=1S/C21H16Cl2N2O/c22-17-12-11-16(13-18(17)23)21(26)24-25-19-7-3-1-5-14(19)9-10-15-6-2-4-8-20(15)25/h1-8,11-13H,9-10H2,(H,24,26)
InChIKey	IBZGMSBXIWTMOJ-UHFFFAOYSA-N Google Search
Mol Weight	383.28 g/mol
Molecular Formula	C21H16Cl2N2O
Exact Mass	382.063969 g/mol

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SpectraBase Spectrum ID	BgokDJ8hT2t
Name	5H-[3,4-Dichlorobenzamido]-10,11-dihydrodibenz[B,F]azepine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	382.063968542 u
Formula	C21H16Cl2N2O
InChI	InChI=1S/C21H16Cl2N2O/c22-17-12-11-16(13-18(17)23)21(26)24-25-19-7-3-1-5-14(19)9-10-15-6-2-4-8-20(15)25/h1-8,11-13H,9-10H2,(H,24,26)
InChIKey	IBZGMSBXIWTMOJ-UHFFFAOYSA-N
Molecular Weight	383.278 g/mol
SMILES	C=12N(NC(C3=CC(Cl)=C(C=C3)Cl)=O)C=3C(CCC1C=CC=C2)=CC=CC3
Spectrum/Structure Validation Score (Vapor Phase IR)	0.871436