| SpectraBase Compound ID | Dz28d8NLYPN |
|---|---|
| InChI | InChI=1S/C11H14S/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3 |
| InChIKey | VLHHDQFPXFJJAP-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 | 1utz7mDjOuO |
|---|---|
| Name | Benzyl methallyl sulphide |
| 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/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3 |
| InChIKey | VLHHDQFPXFJJAP-UHFFFAOYSA-N |
| Molecular Weight | 178.293 g/mol |
| SMILES | C1=CC=CC=C1CSCC(C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94669 |