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N-(4-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SpectraBase Compound ID 6jEJtKLTGQ6
InChI InChI=1S/C12H13N3O4S/c16-11(7-10-12(17)13-5-6-20-10)14-8-1-3-9(4-2-8)15(18)19/h1-4,10H,5-7H2,(H,13,17)(H,14,16)
InChIKey BAVCBFHHIXRAFP-UHFFFAOYSA-N
Mol Weight 295.31 g/mol
Molecular Formula C12H13N3O4S
Exact Mass 295.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iIIdH1VO1A
Name N-(4-nitrophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O4S
InChI InChI=1S/C12H13N3O4S/c16-11(7-10-12(17)13-5-6-20-10)14-8-1-3-9(4-2-8)15(18)19/h1-4,10H,5-7H2,(H,13,17)(H,14,16)
InChIKey BAVCBFHHIXRAFP-UHFFFAOYSA-N
Molecular Weight 295.313 g/mol
SMILES N1CCSC(CC(Nc2ccc(N(=O)=O)cc2)=O)C1=O
SPLASH splash10-0a4i-9700000000-0826af477f387b159e45
Source of Spectrum IY-2-5089-8
Synonyms N-(4-nitrophenyl)-2-(3-oxo-2-thiomorpholinyl)acetamide N-(4-nitrophenyl)-2-(3-oxidanylidenethiomorpholin-2-yl)ethanamide
Wiley ID 1658881