| SpectraBase Spectrum ID |
qHRl7rl0S |
| Name |
Benzenesulfonic acid, 3-nitro-, methyl ester |
| Alternate Name(s) |
3-Nitrobenzenesulfonic acid methyl ester
Methyl 3-nitrobenzenesulfonate |
| CAS Registry Number |
83406-47-7 |
| Comments |
Note: The molecular formula of the structure shown is C7H7NO5S - which differs from the formula reported for the mass spectrum (C7H4D3NO5S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H4D3NO5S |
| 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 |
217.195 g/mol |
| SMILES |
c1(cccc(c1)S(OC)(=O)=O)N(=O)=O |
| SPLASH |
splash10-00fr-9410000000-cfa87a7d55e0446d50ab |
| Wiley ID |
1488660 |
