| SpectraBase Spectrum ID |
5Bje1QiPb4u |
| Name |
1-(2-Allyloxyphenyl)hept-2-yn-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.146329882 u |
| Formula |
C16H20O2 |
| InChI |
InChI=1S/C16H20O2/c1-3-5-6-7-11-15(17)14-10-8-9-12-16(14)18-13-4-2/h4,8-10,12,15,17H,2-3,5-6,13H2,1H3 |
| InChIKey |
VAIXYCZNKURBFX-UHFFFAOYSA-N |
| Molecular Weight |
244.334 g/mol |
| SMILES |
C(C#CCCCC)(O)C=1C(=CC=CC1)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957573 |
