| SpectraBase Spectrum ID |
IJooIYNSrf6 |
| Name |
Trans-4-phenyl-1-(8-phenyl-2-naphthyl)-1-buten-3-yne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.140850580 u |
| Formula |
C26H18 |
| InChI |
InChI=1S/C26H18/c1-3-10-21(11-4-1)12-7-8-13-22-18-19-24-16-9-17-25(26(24)20-22)23-14-5-2-6-15-23/h1-6,8-11,13-20H/b13-8+ |
| InChIKey |
FPOOBBUMYYVNIY-MDWZMJQESA-N |
| Molecular Weight |
330.430 g/mol |
| SMILES |
C=1C(=CC=CC1)C#C\C=C\C=1C=C2C(=CC=CC2=CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.98746 |
