| SpectraBase Compound ID | JSsL2G2FL8a |
|---|---|
| InChI | InChI=1S/C15H14O2S/c1-18-14-9-5-6-12(10-14)11-17-15(16)13-7-3-2-4-8-13/h2-10H,11H2,1H3 |
| InChIKey | TYFATSPQNVLDKD-UHFFFAOYSA-N |
| Mol Weight | 258.33 g/mol |
| Molecular Formula | C15H14O2S |
| Exact Mass | 258.071451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DIlAVFV24hq |
|---|---|
| Name | (3-Methylthio)benzyl benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.071450863 u |
| Formula | C15H14O2S |
| InChI | InChI=1S/C15H14O2S/c1-18-14-9-5-6-12(10-14)11-17-15(16)13-7-3-2-4-8-13/h2-10H,11H2,1H3 |
| InChIKey | TYFATSPQNVLDKD-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1)C(OCC1=CC=CC(=C1)SC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841115 |