![2-Methylbenzo[E][1,3]oxathiane](/api/spectrum/Jaf8GrrAhY/structure.png?h=300&w=458 "2-Methylbenzo[E][1,3]oxathiane")
| SpectraBase Compound ID | 1RsexolQLsR |
|---|---|
| InChI | InChI=1S/C9H10OS/c1-7-10-9-5-3-2-4-8(9)6-11-7/h2-5,7H,6H2,1H3 |
| InChIKey | KDZORMUPOQQEML-UHFFFAOYSA-N |
| Mol Weight | 166.24 g/mol |
| Molecular Formula | C9H10OS |
| Exact Mass | 166.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jaf8GrrAhY |
|---|---|
| Name | 2-Methylbenzo[E][1,3]oxathiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.045236115 u |
| Formula | C9H10OS |
| InChI | InChI=1S/C9H10OS/c1-7-10-9-5-3-2-4-8(9)6-11-7/h2-5,7H,6H2,1H3 |
| InChIKey | KDZORMUPOQQEML-UHFFFAOYSA-N |
| Molecular Weight | 166.238 g/mol |
| SMILES | C1=CC=C2C(=C1)OC(C)SC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.850864 |