| SpectraBase Spectrum ID |
48uWlkdzKEv |
| Name |
2-Benzyl-1-phenylthiopenta- 1(E),4-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.112921754 u |
| Formula |
C18H18S |
| InChI |
InChI=1S/C18H18S/c1-2-9-17(14-16-10-5-3-6-11-16)15-19-18-12-7-4-8-13-18/h2-8,10-13,15H,1,9,14H2/b17-15+ |
| InChIKey |
OQNCRPANSUBZGY-BMRADRMJSA-N |
| Molecular Weight |
266.402 g/mol |
| SMILES |
C=1(C=CC=CC1)S\C=C\(CC1=CC=CC=C1)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956633 |
