SpectraBase Spectrum ID |
H8Of9lYKB0w |
Name |
Benzoic acid, 2-[[(2-methoxy-1,1-dimethyl-2-oxoethyl)amino]sulfonyl]-, methyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |