| SpectraBase Spectrum ID |
GsiK5AXQlAL |
| Name |
Benzoic acid, 4-mercapto-3-nitro-, methyl ester |
| Alternate Name(s) |
4-Mercapto-3-nitro-benzoic acid methyl ester
Methyl 3-nitro-4-sulfanyl-benzoate
4-Mercapto-3-nitrobenzoic acid methyl ester |
| CAS Registry Number |
59515-34-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H7NO4S |
| InChI |
InChI=1S/C8H7NO4S/c1-13-8(10)5-2-3-7(14)6(4-5)9(11)12/h2-4,14H,1H3 |
| InChIKey |
JPDSHWJXMMBSTD-UHFFFAOYSA-N |
| Molecular Weight |
213.207 g/mol |
| SMILES |
Sc1c(N(=O)=O)cc(C(=O)OC)cc1 |
| SPLASH |
splash10-004i-9510000000-747ad93283e0592bbb97 |
| Source of Spectrum |
H-59-865-0 |
| Wiley ID |
1212327 |
