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(ar)-3-(2-Isothiocyanatophenyl)-4-methylthiazoline-2-thione

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

(ar)-3-(2-Isothiocyanatophenyl)-4-methylthiazoline-2-thione
SpectraBase Compound ID AfqMvNcD9BD
InChI InChI=1S/C11H8N2S3/c1-8-6-16-11(15)13(8)10-5-3-2-4-9(10)12-7-14/h2-6H,1H3
InChIKey ZBWQBKRDCGSKAD-UHFFFAOYSA-N
Mol Weight 264.38 g/mol
Molecular Formula C11H8N2S3
Exact Mass 263.984962 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4RqMYPaNdrL
Name (ar)-3-(2-Isothiocyanatophenyl)-4-methylthiazoline-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.984961788 u
Formula C11H8N2S3
InChI InChI=1S/C11H8N2S3/c1-8-6-16-11(15)13(8)10-5-3-2-4-9(10)12-7-14/h2-6H,1H3
InChIKey ZBWQBKRDCGSKAD-UHFFFAOYSA-N
Molecular Weight 264.379 g/mol
SMILES C1(N(C(=CS1)C)C1=C(N=C=S)C=CC=C1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971476