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4-(o-acetylphenyl)-3,5-thiomorpholinedione, 1,1-dioxide

View entire compound with spectra: 2 NMR, and 1 FTIR

4-(o-acetylphenyl)-3,5-thiomorpholinedione, 1,1-dioxide
SpectraBase Compound ID rgRLDAK3e1
InChI InChI=1S/C12H11NO5S/c1-8(14)9-4-2-3-5-10(9)13-11(15)6-19(17,18)7-12(13)16/h2-5H,6-7H2,1H3
InChIKey ISGMXUPYUPSTNO-UHFFFAOYSA-N
Mol Weight 281.28 g/mol
Molecular Formula C12H11NO5S
Exact Mass 281.035794 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 102GXE0PgYT
Name 4-(o-ACETYLPHENYL)-3,5-THIOMORPHOLINEDIONE, 1,1-DIOXIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Impurities
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO5S
InChI InChI=1S/C12H11NO5S/c1-8(14)9-4-2-3-5-10(9)13-11(15)6-19(17,18)7-12(13)16/h2-5H,6-7H2,1H3
InChIKey ISGMXUPYUPSTNO-UHFFFAOYSA-N
Melting Point 229C
Molecular Weight 281.29
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 3,5-THIOMORPHOLINEDIONE, 4-/O-ACETYLPHENYL/-, 1,1-DIOXIDE