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7-Chloro-2-(4-methoxyphenyl)-4-(methylthio)-3H-benzo[b][1,4]diazepine

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

7-Chloro-2-(4-methoxyphenyl)-4-(methylthio)-3H-benzo[b][1,4]diazepine
SpectraBase Compound ID HSmA4ISQdi1
InChI InChI=1S/C17H15ClN2OS/c1-21-13-6-3-11(4-7-13)15-10-17(22-2)20-16-9-12(18)5-8-14(16)19-15/h3-9H,10H2,1-2H3
InChIKey CXYNJKKIWQZPIR-UHFFFAOYSA-N
Mol Weight 330.83 g/mol
Molecular Formula C17H15ClN2OS
Exact Mass 330.059362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrfhSfmky37
Name 7-Chloro-2-(4-methoxyphenyl)-4-(methylthio)-3H-benzo[B][1,4]diazepine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.059361984 u
Formula C17H15ClN2OS
InChI InChI=1S/C17H15ClN2OS/c1-21-13-6-3-11(4-7-13)15-10-17(22-2)20-16-9-12(18)5-8-14(16)19-15/h3-9H,10H2,1-2H3
InChIKey CXYNJKKIWQZPIR-UHFFFAOYSA-N
Molecular Weight 330.833 g/mol
SMILES C1=2N=C(CC(=NC2C=CC(=C1)Cl)C1=CC=C(C=C1)OC)SC