| SpectraBase Compound ID | 4vtPsAtSetJ |
|---|---|
| InChI | InChI=1S/C16H12/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H/b13-7+ |
| InChIKey | LHNRWGOBPNCPKQ-NTUHNPAUSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C16H12 |
| Exact Mass | 204.0939 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8X50ome4Lfb |
|---|---|
| Name | 1,4-Diphenyl-but-3-en-1-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.093900386 u |
| Formula | C16H12 |
| InChI | InChI=1S/C16H12/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H/b13-7+ |
| InChIKey | LHNRWGOBPNCPKQ-NTUHNPAUSA-N |
| Molecular Weight | 204.272 g/mol |
| SMILES | C=1C(\C=C\C#CC2=CC=CC=C2)=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.985923 |