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1,3,4-Thiadiazole, 2,3-dihydro-2,2-dimethyl-3-acetyl-5-anilino-

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

1,3,4-Thiadiazole, 2,3-dihydro-2,2-dimethyl-3-acetyl-5-anilino-
SpectraBase Compound ID 9qJhTrh9cvR
InChI InChI=1S/C12H15N3OS/c1-9(16)15-12(2,3)17-11(14-15)13-10-7-5-4-6-8-10/h4-8H,1-3H3,(H,13,14)
InChIKey CVSMELMRDXKULK-UHFFFAOYSA-N
Mol Weight 249.33 g/mol
Molecular Formula C12H15N3OS
Exact Mass 249.093583 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JC9ATqFUEDh
Name 1,3,4-Thiadiazole, 2,3-dihydro-2,2-dimethyl-3-acetyl-5-anilino-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.093583288 u
Formula C12H15N3OS
InChI InChI=1S/C12H15N3OS/c1-9(16)15-12(2,3)17-11(14-15)13-10-7-5-4-6-8-10/h4-8H,1-3H3,(H,13,14)
InChIKey CVSMELMRDXKULK-UHFFFAOYSA-N
Molecular Weight 249.332 g/mol
SMILES C1=CC=C(C=C1)NC1=NN(C(=O)C)C(S1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921502