| SpectraBase Spectrum ID |
KMY39lHf5WW |
| Name |
Phenol, 3-methyl-4-nitro-, benzenesulfonate (ester) |
| Alternate Name(s) |
3-methyl-4-nitrophenyl benzenesulfonate
p-Nitro-m-methylphenyl benzenesulfonate |
| CAS Registry Number |
129976-46-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H11NO5S |
| InChI |
InChI=1S/C13H11NO5S/c1-10-9-11(7-8-13(10)14(15)16)19-20(17,18)12-5-3-2-4-6-12/h2-9H,1H3 |
| InChIKey |
ZKWWMHYMRHKZLM-UHFFFAOYSA-N |
| Molecular Weight |
293.293 g/mol |
| SMILES |
c1(OS(=O)(=O)c2ccccc2)cc(C)c(N(=O)=O)cc1 |
| SPLASH |
splash10-004i-9000000000-ce7e44cafb898f770a13 |
| Source of Spectrum |
I-68-1454-0 |
| Wiley ID |
1296171 |
