SpectraBase Spectrum ID |
Iq88UrFKuk4 |
Name |
(Z)-1-Benzylthio-1-methylthio-3,4-dimethyl-1-pentene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
266.116293056 u |
Formula |
C15H22S2 |
InChI |
InChI=1S/C15H22S2/c1-12(2)13(3)10-15(16-4)17-11-14-8-6-5-7-9-14/h5-10,12-13H,11H2,1-4H3/b15-10- |
InChIKey |
VFDLIXPZVQQDLE-GDNBJRDFSA-N |
Molecular Weight |
266.461 g/mol |
SMILES |
C(\C=C/(SCC=1C=CC=CC1)SC)(C(C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88552 |