| SpectraBase Compound ID | EvGXHkXUdqV |
|---|---|
| InChI | InChI=1S/C13H8ClNO4S/c14-8-1-4-10(5-2-8)20-12-6-3-9(15(18)19)7-11(12)13(16)17/h1-7H,(H,16,17) |
| InChIKey | BVVJQOLVSLSVQN-UHFFFAOYSA-N |
| Mol Weight | 309.72 g/mol |
| Molecular Formula | C13H8ClNO4S |
| Exact Mass | 308.986257 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3mIXRD1Nrc |
|---|---|
| Name | 2-(4-Chloro-phenylsulfanyl)-5-nitro-benzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H8ClNO4S |
| InChI | InChI=1S/C13H8ClNO4S/c14-8-1-4-10(5-2-8)20-12-6-3-9(15(18)19)7-11(12)13(16)17/h1-7H,(H,16,17) |
| InChIKey | BVVJQOLVSLSVQN-UHFFFAOYSA-N |
| Molecular Weight | 309.723 g/mol |
| SMILES | OC(c1c(Sc2ccc(cc2)Cl)ccc(N(=O)=O)c1)=O |
| SPLASH | splash10-0a59-3922000000-44179fc6d40e5306aad2 |
| Wiley ID | 1462897 |