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N-Phenyl-2,2-dimethyl-5-(methylthio)-1,3,4-thiadiazole-3(2H)-carboxamide

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

N-Phenyl-2,2-dimethyl-5-(methylthio)-1,3,4-thiadiazole-3(2H)-carboxamide
SpectraBase Compound ID KshyYhqYRP8
InChI InChI=1S/C12H15N3OS2/c1-12(2)15(14-11(17-3)18-12)10(16)13-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,16)
InChIKey DTVZMLRTVVFHHX-UHFFFAOYSA-N
Mol Weight 281.39 g/mol
Molecular Formula C12H15N3OS2
Exact Mass 281.065654 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5eAvg41TOoq
Name N-Phenyl-2,2-dimethyl-5-(methylthio)-1,3,4-thiadiazole-3(2H)-carboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.065654462 u
Formula C12H15N3OS2
InChI InChI=1S/C12H15N3OS2/c1-12(2)15(14-11(17-3)18-12)10(16)13-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,16)
InChIKey DTVZMLRTVVFHHX-UHFFFAOYSA-N
SMILES C1(N(N=C(S1)SC)C(NC=1C=CC=CC1)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877812