| SpectraBase Compound ID | I1O19MLuWow |
|---|---|
| InChI | InChI=1S/C13H18OS/c1-11(2)8-9-15-10-12-4-6-13(14-3)7-5-12/h4-8H,9-10H2,1-3H3 |
| InChIKey | YGXSLDBKVHMLKH-UHFFFAOYSA-N |
| Mol Weight | 222.35 g/mol |
| Molecular Formula | C13H18OS |
| Exact Mass | 222.107836 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BsZhPTHXgDw |
|---|---|
| Name | 4-Methoxybenzyl 3,3-dimethylallyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.107836373 u |
| Formula | C13H18OS |
| InChI | InChI=1S/C13H18OS/c1-11(2)8-9-15-10-12-4-6-13(14-3)7-5-12/h4-8H,9-10H2,1-3H3 |
| InChIKey | YGXSLDBKVHMLKH-UHFFFAOYSA-N |
| Molecular Weight | 222.346 g/mol |
| SMILES | C(=CCSCC=1C=CC(=CC1)OC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939136 |