| SpectraBase Spectrum ID |
3NzuTyW2fyW |
| Name |
3-(p-Tolylsulfonyl)-5-nitro-1,2,3-benzoxathiazole 2,2-Dioxide |
| Alternate Name(s) |
3-[(4-methylphenyl)sulfonyl]-5-nitro-3H-1,2,3-benzoxathiazole 2,2-dioxide |
| CAS Registry Number |
136061-86-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H10N2O7S2 |
| InChI |
InChI=1S/C13H10N2O7S2/c1-9-2-5-11(6-3-9)23(18,19)15-12-8-10(14(16)17)4-7-13(12)22-24(15,20)21/h2-8H,1H3 |
| InChIKey |
MXWBZBBVNYMTDN-UHFFFAOYSA-N |
| Molecular Weight |
370.350 g/mol |
| SMILES |
c12OS(N(c2cc(N(=O)=O)cc1)S(c1ccc(cc1)C)(=O)=O)(=O)=O |
| SPLASH |
splash10-0006-9000000000-ce9a0f30420d51a7a104 |
| Source of Spectrum |
J-56-6513-1 |
| Wiley ID |
1353932 |
