| SpectraBase Spectrum ID |
70KaM4NpwUV |
| Name |
3-(p-Tolylsulfonyl)-5-acetyl-1,2,3-benzoxathiazole 2,2-Dioxide |
| Alternate Name(s) |
1-{3-[(4-methylphenyl)sulfonyl]-2,2-dioxido-3H-1,2,3-benzoxathiazol-5-yl}ethanone |
| CAS Registry Number |
136061-85-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H13NO6S2 |
| InChI |
InChI=1S/C15H13NO6S2/c1-10-3-6-13(7-4-10)23(18,19)16-14-9-12(11(2)17)5-8-15(14)22-24(16,20)21/h3-9H,1-2H3 |
| InChIKey |
ACCXGYHNHNVQAU-UHFFFAOYSA-N |
| Molecular Weight |
367.390 g/mol |
| SMILES |
c12OS(N(c2cc(C(=O)C)cc1)S(c1ccc(cc1)C)(=O)=O)(=O)=O |
| SPLASH |
splash10-0006-9000000000-c207bf751ad0cd46d897 |
| Source of Spectrum |
J-56-6513-1 |
| Wiley ID |
1352426 |
