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p-(3,5-dioxothiomorpholino)benzoic acid, ethyl ester, S,S-dioxoide
SpectraBase Compound ID I5qcy8jRlOd
InChI InChI=1S/C13H13NO6S/c1-2-20-13(17)9-3-5-10(6-4-9)14-11(15)7-21(18,19)8-12(14)16/h3-6H,2,7-8H2,1H3
InChIKey JRBBZDKHFIPQQM-UHFFFAOYSA-N
Mol Weight 311.31 g/mol
Molecular Formula C13H13NO6S
Exact Mass 311.046358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Le7R8XqX8MC
Name p-(3,5-DIOXOTHIOMORPHOLINO)BENZOIC ACID, ETHYL ESTER, S,S-DIOXIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO6S
InChI InChI=1S/C13H13NO6S/c1-2-20-13(17)9-3-5-10(6-4-9)14-11(15)7-21(18,19)8-12(14)16/h3-6H,2,7-8H2,1H3
InChIKey JRBBZDKHFIPQQM-UHFFFAOYSA-N
Melting Point 205C
Molecular Weight 311.32
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, P-/3,5-DIOXOTHIOMORPHOLINO/-, ETHYL ESTER, S,S-DIOXIDE