| SpectraBase Compound ID | IWhyO8cypLE |
|---|---|
| InChI | InChI=1S/C8H7ClO2/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3 |
| InChIKey | XOFZPIYYMJUNRG-UHFFFAOYSA-N |
| Mol Weight | 170.59 g/mol |
| Molecular Formula | C8H7ClO2 |
| Exact Mass | 170.013457 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8oF2EDoOevU |
|---|---|
| Name | Chlorothioformic acid, o-p-tolyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.013457163 u |
| Formula | C8H7ClO2 |
| InChI | InChI=1S/C8H7ClO2/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3 |
| InChIKey | XOFZPIYYMJUNRG-UHFFFAOYSA-N |
| Molecular Weight | 170.595 g/mol |
| Nominal Mass | 170 u |
| SMILES | C=1C=C(C=CC1C)OC(=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.965256 |