| SpectraBase Compound ID | FpDy1g74qKD |
|---|---|
| InChI | InChI=1S/C16H30O2S/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-16(17)18-2/h13,15H,3-12,14H2,1-2H3/b15-13- |
| InChIKey | MXPRGYJUUWHNCV-SQFISAMPSA-N |
| Mol Weight | 286.47 g/mol |
| Molecular Formula | C16H30O2S |
| Exact Mass | 286.196651 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CUhAb82dFHd |
|---|---|
| Name | Methyl (Z)-3-(dodecylthio)acrylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.196651378 u |
| Formula | C16H30O2S |
| InChI | InChI=1S/C16H30O2S/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-16(17)18-2/h13,15H,3-12,14H2,1-2H3/b15-13- |
| InChIKey | MXPRGYJUUWHNCV-SQFISAMPSA-N |
| SMILES | C(\C=C/SCCCCCCCCCCCC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889965 |