| SpectraBase Compound ID | 2m35SaI2YTJ |
|---|---|
| InChI | InChI=1S/C11H12S/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,9H,4,7-8H2 |
| InChIKey | ODQJIZQHOKJFDO-UHFFFAOYSA-N |
| Mol Weight | 176.28 g/mol |
| Molecular Formula | C11H12S |
| Exact Mass | 176.065972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8xNf0hM3ioI |
|---|---|
| Name | 5-Phenyl-3,4-dihydro-2H-thiopyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.065971560 u |
| Formula | C11H12S |
| InChI | InChI=1S/C11H12S/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,9H,4,7-8H2 |
| InChIKey | ODQJIZQHOKJFDO-UHFFFAOYSA-N |
| Molecular Weight | 176.277 g/mol |
| SMILES | C1(=CSCCC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85639 |