![(Z)-2-[Propen-1-yl]-3-phenylthiirane](/api/spectrum/AaOHItUza7L/structure.png?h=300&w=458 "(Z)-2-[Propen-1-yl]-3-phenylthiirane")
| SpectraBase Compound ID | EpiKksTckdz |
|---|---|
| InChI | InChI=1S/C11H12S/c1-2-6-10-11(12-10)9-7-4-3-5-8-9/h2-5,7-8,10-11H,1,6H2 |
| InChIKey | RYGZSHNDODNZNP-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 | AaOHItUza7L |
|---|---|
| Name | (Z)-2-[Propen-1-yl]-3-phenylthiirane |
| 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/c1-2-6-10-11(12-10)9-7-4-3-5-8-9/h2-5,7-8,10-11H,1,6H2 |
| InChIKey | RYGZSHNDODNZNP-UHFFFAOYSA-N |
| Molecular Weight | 176.277 g/mol |
| SMILES | C1(SC1CC=C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972871 |