| SpectraBase Compound ID | FVM2RKLulJt |
|---|---|
| InChI | InChI=1S/C10H10O2S/c1-12-10(11)9-8(13-9)7-5-3-2-4-6-7/h2-6,8-9H,1H3 |
| InChIKey | GIPZBJJWCAIKGH-UHFFFAOYSA-N |
| Mol Weight | 194.25 g/mol |
| Molecular Formula | C10H10O2S |
| Exact Mass | 194.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CsFLmxWu5hA |
|---|---|
| Name | 2-Phenyl-3-(methoxycarbonyl)-1-thiacyclopropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.040150734 u |
| Formula | C10H10O2S |
| InChI | InChI=1S/C10H10O2S/c1-12-10(11)9-8(13-9)7-5-3-2-4-6-7/h2-6,8-9H,1H3 |
| InChIKey | GIPZBJJWCAIKGH-UHFFFAOYSA-N |
| Molecular Weight | 194.248 g/mol |
| SMILES | C1(SC1C=1C=CC=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.804481 |