| SpectraBase Spectrum ID |
IIMfZjNn88n |
| Name |
Methylthio derivative of hydroxy - tetradecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.217386823 u |
| Formula |
C15H32OS |
| InChI |
InChI=1S/C15H32OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h15-16H,3-14H2,1-2H3 |
| InChIKey |
XTGUUKKPNVVVIF-UHFFFAOYSA-N |
| Molecular Weight |
260.480 g/mol |
| SMILES |
C(SC)(O)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804673 |
