| SpectraBase Compound ID | 5pLOJnIpPzF |
|---|---|
| InChI | InChI=1S/C8H8O2S/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | IIVBYIXASYEMPQ-UHFFFAOYSA-N |
| Mol Weight | 168.21 g/mol |
| Molecular Formula | C8H8O2S |
| Exact Mass | 168.024501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3OJFHwQxooU |
|---|---|
| Name | (Phenylthio)formic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.024500670 u |
| Formula | C8H8O2S |
| InChI | InChI=1S/C8H8O2S/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | IIVBYIXASYEMPQ-UHFFFAOYSA-N |
| Molecular Weight | 168.210 g/mol |
| SMILES | C(SC1=CC=CC=C1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87325 |