| SpectraBase Spectrum ID |
97ysiOtNm2C |
| Name |
(E)-1-(4-Methoxybenzyloxy)hept-5-en-2-yn-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.109944372 u |
| Formula |
C15H16O3 |
| InChI |
InChI=1S/C15H16O3/c1-3-5-14(16)6-4-11-18-12-13-7-9-15(17-2)10-8-13/h3,5,7-10H,11-12H2,1-2H3/b5-3+ |
| InChIKey |
HDSSCJIRIHFWGP-HWKANZROSA-N |
| Molecular Weight |
244.290 g/mol |
| SMILES |
C(C#CC(\C=C\C)=O)OCC=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889833 |
