| SpectraBase Spectrum ID |
CRn6zJgkWDc |
| Name |
(2E)-7-(4'-Methoxyphenyl)hept-2-en-6-yn-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.115029753 u |
| Formula |
C14H16O2 |
| InChI |
InChI=1S/C14H16O2/c1-16-14-10-8-13(9-11-14)7-5-3-2-4-6-12-15/h4,6,8-11,15H,2-3,12H2,1H3/b6-4+ |
| InChIKey |
BTQIKAZEBFFXKH-GQCTYLIASA-N |
| Molecular Weight |
216.280 g/mol |
| SMILES |
C(\C=C\CCC#CC=1C=CC(=CC1)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944254 |
