| SpectraBase Compound ID | Gle9IaHT04p |
|---|---|
| InChI | InChI=1S/C17H34O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19) |
| InChIKey | RTMBKMPGJODDIQ-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 | 9opXEMTMFdN |
|---|---|
| Name | Hexadecanoic acid, 2-(methylthio)- |
| 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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19) |
| InChIKey | RTMBKMPGJODDIQ-UHFFFAOYSA-N |
| SMILES | C(=O)(C(SC)CCCCCCCCCCCCCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843711 |