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6-(3'-Chlorophenyl)-1-methyl-1,2,3,4-tetrahydro-1,5-benzodiazocine

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

6-(3'-Chlorophenyl)-1-methyl-1,2,3,4-tetrahydro-1,5-benzodiazocine
SpectraBase Compound ID KBD8KxYMsIZ
InChI InChI=1S/C17H17ClN2/c1-20-11-5-10-19-17(13-6-4-7-14(18)12-13)15-8-2-3-9-16(15)20/h2-4,6-9,12H,5,10-11H2,1H3/b19-17-
InChIKey COBOQLQTXOTTKQ-ZPHPHTNESA-N
Mol Weight 284.79 g/mol
Molecular Formula C17H17ClN2
Exact Mass 284.108026 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7f4QCfO4PIH
Name 6-(3'-Chlorophenyl)-1-methyl-1,2,3,4-tetrahydro-1,5-benzodiazocine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.108026255 u
Formula C17H17ClN2
InChI InChI=1S/C17H17ClN2/c1-20-11-5-10-19-17(13-6-4-7-14(18)12-13)15-8-2-3-9-16(15)20/h2-4,6-9,12H,5,10-11H2,1H3/b19-17-
InChIKey COBOQLQTXOTTKQ-ZPHPHTNESA-N
SMILES C=12\C(=N/CCCN(C2=CC=CC1)C)C=1C=C(Cl)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928371