| SpectraBase Compound ID | 1zteFEBMrgX |
|---|---|
| InChI | InChI=1S/C8H8ClNO2S/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2 |
| InChIKey | XSHHJXAFSBWTJU-UHFFFAOYSA-N |
| Mol Weight | 217.67 g/mol |
| Molecular Formula | C8H8ClNO2S |
| Exact Mass | 216.996427 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1AdBkAC8mIK |
|---|---|
| Name | 2-Chloroethyl p-nitrophenyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.996427374 u |
| Formula | C8H8ClNO2S |
| InChI | InChI=1S/C8H8ClNO2S/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2 |
| InChIKey | XSHHJXAFSBWTJU-UHFFFAOYSA-N |
| Molecular Weight | 217.670 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C=C1)SCCCl |
| Spectrum/Structure Validation Score (Raman) | 0.891004 |