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2,3-Dihydro-4-methyl-(1H)1,5-benzodiazepine-2-thione
SpectraBase Compound ID HBEkKPyJRBN
InChI InChI=1S/C10H10N2S/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5H,6H2,1H3,(H,12,13)
InChIKey QOBFLKWNAMVSRH-UHFFFAOYSA-N
Mol Weight 190.26 g/mol
Molecular Formula C10H10N2S
Exact Mass 190.05647 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7hc1vIifR6z
Name 2,3-Dihydro-4-methyl-(1H)1,5-benzodiazepine-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.056469504 u
Formula C10H10N2S
InChI InChI=1S/C10H10N2S/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5H,6H2,1H3,(H,12,13)
InChIKey QOBFLKWNAMVSRH-UHFFFAOYSA-N
Molecular Weight 190.264 g/mol
SMILES C12=C(C=CC=C2)NC(=S)CC(=N1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932192