| SpectraBase Compound ID | 6YxnLeL4o4x |
|---|---|
| InChI | InChI=1S/C19H38O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20)21-17-18-22-2/h3-18H2,1-2H3 |
| InChIKey | OUUXSAZAQYVQAY-UHFFFAOYSA-N |
| Mol Weight | 330.6 g/mol |
| Molecular Formula | C19H38O2S |
| Exact Mass | 330.259252 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7e0eSC9CC3R |
|---|---|
| Name | 2-(Methylthio)ethanol, palmitate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.259251636 u |
| Formula | C19H38O2S |
| InChI | InChI=1S/C19H38O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20)21-17-18-22-2/h3-18H2,1-2H3 |
| InChIKey | OUUXSAZAQYVQAY-UHFFFAOYSA-N |
| Molecular Weight | 330.571 g/mol |
| SMILES | C(CC)CCCCCCCCCCCCC(OCCSC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.979632 |