| SpectraBase Compound ID | B3fB0p0hsp8 |
|---|---|
| InChI | InChI=1S/C12H14OS/c1-2-11(8-10-9-13-10)14-12-6-4-3-5-7-12/h2-7,10-11H,1,8-9H2 |
| InChIKey | RJLARQICJTXONB-UHFFFAOYSA-N |
| Mol Weight | 206.3 g/mol |
| Molecular Formula | C12H14OS |
| Exact Mass | 206.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8ChQikqCWlr |
|---|---|
| Name | 2-(2-Phenylsulfanylbut-3-enyl)oxirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.076536244 u |
| Formula | C12H14OS |
| InChI | InChI=1S/C12H14OS/c1-2-11(8-10-9-13-10)14-12-6-4-3-5-7-12/h2-7,10-11H,1,8-9H2 |
| InChIKey | RJLARQICJTXONB-UHFFFAOYSA-N |
| Molecular Weight | 206.303 g/mol |
| SMILES | C1(OC1)CC(SC1=CC=CC=C1)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888102 |