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1H-1,3,4-Benzotriazepin-2-amine, 7-chloro-N,1-dimethyl-5-phenyl-

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

1H-1,3,4-Benzotriazepin-2-amine, 7-chloro-N,1-dimethyl-5-phenyl-
SpectraBase Compound ID DJd79scr3oI
InChI InChI=1S/C16H15ClN4/c1-18-16-20-19-15(11-6-4-3-5-7-11)13-10-12(17)8-9-14(13)21(16)2/h3-10H,1-2H3,(H,18,20)
InChIKey IGQIEENBUFPONH-UHFFFAOYSA-N
Mol Weight 298.78 g/mol
Molecular Formula C16H15ClN4
Exact Mass 298.098524 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FkGT79lEYSA
Name 1H-1,3,4-Benzotriazepin-2-amine, 7-chloro-N,1-dimethyl-5-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.098524199 u
Formula C16H15ClN4
InChI InChI=1S/C16H15ClN4/c1-18-16-20-19-15(11-6-4-3-5-7-11)13-10-12(17)8-9-14(13)21(16)2/h3-10H,1-2H3,(H,18,20)
InChIKey IGQIEENBUFPONH-UHFFFAOYSA-N
Molecular Weight 298.777 g/mol
SMILES C12=C(N(C(=NN=C2C=2C=CC=CC2)NC)C)C=CC(=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904472