| SpectraBase Compound ID | B7zH3CJBssh |
|---|---|
| InChI | InChI=1S/C11H14S/c1-11(2)7-8-12-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3 |
| InChIKey | UKTQYFIDMREWNQ-UHFFFAOYSA-N |
| Mol Weight | 178.29 g/mol |
| Molecular Formula | C11H14S |
| Exact Mass | 178.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JR2i0McbZDL |
|---|---|
| Name | 4,4-Dimethyl-2,3-dihydro-1-benzothiopyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.081621625 u |
| Formula | C11H14S |
| InChI | InChI=1S/C11H14S/c1-11(2)7-8-12-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3 |
| InChIKey | UKTQYFIDMREWNQ-UHFFFAOYSA-N |
| Molecular Weight | 178.293 g/mol |
| SMILES | C=12C(CCSC2=CC=CC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852959 |