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1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-, 4-oxide
SpectraBase Compound ID 6C2laBgdm9I
InChI InChI=1S/C12H13NO3S/c1-9-11(17(15)8-7-16-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey UZXIHLNNJNITMJ-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rhx4EjOVmk
Name 1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-, 4-oxide
CAS Registry Number 17757-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-9-11(17(15)8-7-16-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey UZXIHLNNJNITMJ-UHFFFAOYSA-N
Molecular Weight 251.300 g/mol
SMILES N(c1ccccc1)C(C1=C(C)OCCS1=O)=O
SPLASH splash10-0006-9100000000-9d313200e6766e1d4341
Source of Spectrum W5-22046-0-0
Synonyms 2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4-oxide 1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-, 4-oxide 1,4-Oxathin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-, 4-oxide 4-keto-6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiin-5-carboxamide 6-Methyl-4-oxidanylidene-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide 6-Methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiin-5-carboxamide 6-Methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide Carboxin 4-oxide Carboxin sulfoxide Vitavax Sulfoxide F 831
Wiley ID 1254364