| SpectraBase Compound ID | 1lPtEJjky8m |
|---|---|
| InChI | InChI=1S/C18H18OS/c1-2-9-16(14-15-10-5-3-6-11-15)18(19)20-17-12-7-4-8-13-17/h2-13,16H,14H2,1H3/b9-2+ |
| InChIKey | XSPFUHUJTRNRKM-XNWCZRBMSA-N |
| Mol Weight | 282.4 g/mol |
| Molecular Formula | C18H18OS |
| Exact Mass | 282.107836 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2YcHhNNCx20 |
|---|---|
| Name | Phenylthio 2-benzylpent-3-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.107836373 u |
| Formula | C18H18OS |
| InChI | InChI=1S/C18H18OS/c1-2-9-16(14-15-10-5-3-6-11-15)18(19)20-17-12-7-4-8-13-17/h2-13,16H,14H2,1H3/b9-2+ |
| InChIKey | XSPFUHUJTRNRKM-XNWCZRBMSA-N |
| SMILES | C1(=CC=CC=C1)SC(C(CC1=CC=CC=C1)\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876501 |