| SpectraBase Spectrum ID |
KWP09xK5h1u |
| Name |
1-((E)-2-Benzylsulfanyl-vinyl)-naphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.097271689 u |
| Formula |
C19H16S |
| InChI |
InChI=1S/C19H16S/c1-2-7-16(8-3-1)15-20-14-13-18-11-6-10-17-9-4-5-12-19(17)18/h1-14H,15H2/b14-13+ |
| InChIKey |
DDGHKUVBXDKMQJ-BUHFOSPRSA-N |
| SMILES |
C12=C(\C=C\SCC=3C=CC=CC3)C=CC=C1C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924298 |
