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3-Chloro-N-nitrosodibenz[B,F]azepine

View entire compound with spectra: 1 FTIR

3-Chloro-N-nitrosodibenz[B,F]azepine
SpectraBase Compound ID CYxNuLZMv3y
InChI InChI=1S/C14H9ClN2O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)17(16-18)14(11)9-12/h1-9H
InChIKey UTOZXFFKRYAROJ-UHFFFAOYSA-N
Mol Weight 256.69 g/mol
Molecular Formula C14H9ClN2O
Exact Mass 256.040341 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4UX2q6Gow0c
Name 3-Chloro-N-nitrosodibenz[B,F]azepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.040340617 u
Formula C14H9ClN2O
InChI InChI=1S/C14H9ClN2O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)17(16-18)14(11)9-12/h1-9H
InChIKey UTOZXFFKRYAROJ-UHFFFAOYSA-N
Molecular Weight 256.692 g/mol
SMILES C=12N(N=O)C=3C(C=CC2=CC=CC1)=CC=C(C3)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859361