| SpectraBase Compound ID | D7ZlvsFSOl8 |
|---|---|
| InChI | InChI=1S/C17H34O2S/c1-3-4-15-20-16-13-11-9-7-5-6-8-10-12-14-17(18)19-2/h3-16H2,1-2H3 |
| InChIKey | QQJRRHYNVRJKKT-UHFFFAOYSA-N |
| Mol Weight | 302.5 g/mol |
| Molecular Formula | C17H34O2S |
| Exact Mass | 302.227952 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4rBjAc0K5di |
|---|---|
| Name | Methyl 13-thia-heptadecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.227951507 u |
| Formula | C17H34O2S |
| InChI | InChI=1S/C17H34O2S/c1-3-4-15-20-16-13-11-9-7-5-6-8-10-12-14-17(18)19-2/h3-16H2,1-2H3 |
| InChIKey | QQJRRHYNVRJKKT-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCCSCCCC)CCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930097 |