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4-(methylthio)-3,3a-dihydro-1H-thiazolo[4,3-c][1,4]benzodiazepin-10-one
SpectraBase Compound ID BHZ8gof8Ld2
InChI InChI=1S/C12H12N2OS2/c1-16-11-10-6-17-7-14(10)12(15)8-4-2-3-5-9(8)13-11/h2-5,10H,6-7H2,1H3
InChIKey DMVCEGRPBFJUFB-UHFFFAOYSA-N
Mol Weight 264.36 g/mol
Molecular Formula C12H12N2OS2
Exact Mass 264.039105 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7RJQn7MwrYX
Name 4-(Methylthio)-3,3A-dihydro-1H-thiazolo[4,3-C][1,4]benzodiazepin-10-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.039105361 u
Formula C12H12N2OS2
InChI InChI=1S/C12H12N2OS2/c1-16-11-10-6-17-7-14(10)12(15)8-4-2-3-5-9(8)13-11/h2-5,10H,6-7H2,1H3
InChIKey DMVCEGRPBFJUFB-UHFFFAOYSA-N
SMILES C1(N2C(C(=NC=3C1=CC=CC3)SC)CSC2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894552