| SpectraBase Spectrum ID |
3Ov4OymtpvC |
| Name |
(Z,Z)-1,4-di(Benzylthio)-1,4-di(1-naphthyl)-1,3-butadiene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
550.178893314 u |
| Formula |
C38H30S2 |
| InChI |
InChI=1S/C38H30S2/c1-3-13-29(14-4-1)27-39-37(35-23-11-19-31-17-7-9-21-33(31)35)25-26-38(40-28-30-15-5-2-6-16-30)36-24-12-20-32-18-8-10-22-34(32)36/h1-26H,27-28H2/b37-25-,38-26- |
| InChIKey |
STWYZIBWLHJSAC-MEDPLMNLSA-N |
| Molecular Weight |
550.778 g/mol |
| SMILES |
C1(\C(=C\C=C\(C2=C3C(C=CC=C3)=CC=C2)SCC2=CC=CC=C2)SCC=2C=CC=CC2)=C2C(C=CC=C2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925883 |
