| SpectraBase Compound ID | 6ZZ35aPgeqc |
|---|---|
| InChI | InChI=1S/C7H7NO5S/c1-13-14(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3 |
| InChIKey | SWKKKZKIPZOMBG-UHFFFAOYSA-N |
| Mol Weight | 217.19 g/mol |
| Molecular Formula | C7H7NO5S |
| Exact Mass | 217.004493 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CvN3QXdkrQi |
|---|---|
| Name | 3-NITROBENZENESULFONIC ACID, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H7NO5S |
| InChI | InChI=1S/C7H7NO5S/c1-13-14(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3 |
| InChIKey | SWKKKZKIPZOMBG-UHFFFAOYSA-N |
| Molecular Weight | 217.0043 |
| SMILES | c1(S(OC)(=O)=O)cc(N(=O)=O)ccc1 |
| SPLASH | splash10-00b9-9310000000-b24b3a8f2a3607f2d8d9 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |