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1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-

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

1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-
SpectraBase Compound ID 2I7Xbyg1od5
InChI InChI=1S/C12H13NOS2/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey KSFUYSSXXZXGIW-UHFFFAOYSA-N
Mol Weight 251.36 g/mol
Molecular Formula C12H13NOS2
Exact Mass 251.043856 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HhihTB1EUYf
Name 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.043856390 u
Formula C12H13NOS2
InChI InChI=1S/C12H13NOS2/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey KSFUYSSXXZXGIW-UHFFFAOYSA-N
Molecular Weight 251.362 g/mol
SMILES C1CSC(=C(S1)C(=O)NC1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970803