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3-(4,5-Dihydro-thiazol-2-ylsulfanyl)-1-o-tolyl-pyrrolidine-2,5-dione

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

3-(4,5-Dihydro-thiazol-2-ylsulfanyl)-1-o-tolyl-pyrrolidine-2,5-dione
SpectraBase Compound ID Bfr21ugw5oO
InChI InChI=1S/C14H14N2O2S2/c1-9-4-2-3-5-10(9)16-12(17)8-11(13(16)18)20-14-15-6-7-19-14/h2-5,11H,6-8H2,1H3
InChIKey CROHYAHISFTMSY-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C14H14N2O2S2
Exact Mass 306.04967 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A4Oclb7hiHt
Name 3-(4,5-Dihydro-thiazol-2-ylsulfanyl)-1-o-tolyl-pyrrolidine-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.049670045 u
Formula C14H14N2O2S2
InChI InChI=1S/C14H14N2O2S2/c1-9-4-2-3-5-10(9)16-12(17)8-11(13(16)18)20-14-15-6-7-19-14/h2-5,11H,6-8H2,1H3
InChIKey CROHYAHISFTMSY-UHFFFAOYSA-N
Molecular Weight 306.398 g/mol
SMILES CC1=CC=CC=C1N1C(C(CC1=O)SC=1SCCN1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959886