| SpectraBase Compound ID | I0hM7BdCPAT |
|---|---|
| InChI | InChI=1S/C14H10O2S/c1-9(15)10-6-7-12-14(8-10)17-13-5-3-2-4-11(13)16-12/h2-8H,1H3 |
| InChIKey | NTIVMTODXGIOHE-UHFFFAOYSA-N |
| Mol Weight | 242.29 g/mol |
| Molecular Formula | C14H10O2S |
| Exact Mass | 242.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5I8kjlJ3x59 |
|---|---|
| Name | 2-Acetylphenoxathiin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.040150734 u |
| Formula | C14H10O2S |
| InChI | InChI=1S/C14H10O2S/c1-9(15)10-6-7-12-14(8-10)17-13-5-3-2-4-11(13)16-12/h2-8H,1H3 |
| InChIKey | NTIVMTODXGIOHE-UHFFFAOYSA-N |
| Molecular Weight | 242.292 g/mol |
| SMILES | C1=CC=2OC3=CC=C(C=C3SC2C=C1)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.804235 |