| SpectraBase Spectrum ID |
AvnKmKz3wb |
| Name |
4-Tert-butyl-3-nitrobenzenesulfonic acid, sodium salt |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.033387939 u |
| Formula |
C10H12NNaO5S |
| InChI |
InChI=1S/C10H13NO5S.Na/c1-10(2,3)8-5-4-7(17(14,15)16)6-9(8)11(12)13;/h4-6H,1-3H3,(H,14,15,16);/q;+1/p-1 |
| InChIKey |
KQIHRQMYPHBOGZ-UHFFFAOYSA-M |
| Molecular Weight |
281.258 g/mol |
| SMILES |
N(=O)(=O)C=1C=C(C=CC1C(C)(C)C)S(=O)(=O)[O-].[Na+] |
| Spectrum/Structure Validation Score (Raman) |
0.702479 |
