| SpectraBase Compound ID | JU1pEDnfqLc |
|---|---|
| InChI | InChI=1S/C8H7ClO2S/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11) |
| InChIKey | WIDAETORFHBGDW-UHFFFAOYSA-N |
| Mol Weight | 202.65 g/mol |
| Molecular Formula | C8H7ClO2S |
| Exact Mass | 201.985528 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | G2Foy59Q91S |
|---|---|
| Name | 3-Chloranyl-2-methylsulfanyl-benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.985528337 u |
| Formula | C8H7ClO2S |
| InChI | InChI=1S/C8H7ClO2S/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11) |
| InChIKey | WIDAETORFHBGDW-UHFFFAOYSA-N |
| Molecular Weight | 202.655 g/mol |
| SMILES | C=1(C(=C(Cl)C=CC1)SC)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864812 |