| SpectraBase Compound ID | 7jFTVgrDUEN |
|---|---|
| InChI | InChI=1S/C7H8ClNO2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3 |
| InChIKey | JZYXWKXXTIMVOA-UHFFFAOYSA-N |
| Mol Weight | 205.66 g/mol |
| Molecular Formula | C7H8ClNO2S |
| Exact Mass | 204.996427 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BCb1fMObnpr |
|---|---|
| Name | 2-Chloro-5-(methylsulfonyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.996427374 u |
| Formula | C7H8ClNO2S |
| InChI | InChI=1S/C7H8ClNO2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3 |
| InChIKey | JZYXWKXXTIMVOA-UHFFFAOYSA-N |
| Molecular Weight | 205.659 g/mol |
| SMILES | NC1=C(C=CC(=C1)S(=O)(=O)C)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.8122 |