SpectraBase Spectrum ID |
ETkTkZ7BW8V |
Name |
2,2,2-Tris-methylthio-1-pyridin-2-yl-ethanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.031577628 u |
Formula |
C10H15NOS3 |
InChI |
InChI=1S/C10H15NOS3/c1-13-10(14-2,15-3)9(12)8-6-4-5-7-11-8/h4-7,9,12H,1-3H3 |
InChIKey |
LQWWNDIDWVJDKH-UHFFFAOYSA-N |
Molecular Weight |
261.416 g/mol |
SMILES |
C(C(SC)(SC)SC)(C=1C=CC=CN1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875546 |