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Benzoic acid, 2-[[(2-methoxy-1,1-dimethyl-2-oxoethyl)amino]sulfonyl]-, methyl ester
SpectraBase Compound ID 9y61PCStvJc
InChI InChI=1S/C13H17NO6S/c1-13(2,12(16)20-4)14-21(17,18)10-8-6-5-7-9(10)11(15)19-3/h5-8,14H,1-4H3
InChIKey ODYMRZOUIMYYHM-UHFFFAOYSA-N
Mol Weight 315.34 g/mol
Molecular Formula C13H17NO6S
Exact Mass 315.077658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8Of9lYKB0w
Name Benzoic acid, 2-[[(2-methoxy-1,1-dimethyl-2-oxoethyl)amino]sulfonyl]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 315.077658439 u
Formula C13H17NO6S
InChI InChI=1S/C13H17NO6S/c1-13(2,12(16)20-4)14-21(17,18)10-8-6-5-7-9(10)11(15)19-3/h5-8,14H,1-4H3
InChIKey ODYMRZOUIMYYHM-UHFFFAOYSA-N
Molecular Weight 315.340 g/mol
SMILES C(NS(C=1C(C(=O)OC)=CC=CC1)(=O)=O)(C(=O)OC)(C)C