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3-Methyl-N-phenyl-5,6-dihydro-1,4-dithiine-2-carboxamide
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42IjllaACHk
Name 3-Methyl-N-phenyl-5,6-dihydro-1,4-dithiine-2-carboxamide
Alternate Name(s) 1,4-Dithiine-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl- 6-Methyl-N-phenyl-2,3-dihydro-1,4-dithiin-5-carboxamide 6-Methyl-N-phenyl-2,3-dihydro-1,4-dithiine-5-carboxamide
CAS Registry Number 35756-30-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N(c1ccccc1)C(C1=C(C)SCCS1)=O
SPLASH splash10-0pb9-2930000000-0fd70337434ef205894f
Source of Spectrum O-22-587-7
Wiley ID 1254361