| SpectraBase Spectrum ID |
CyJlXYi4FoT |
| Name |
(E)-3-Butanoyloxymethyl-4-phenyl-3-buten-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.125594437 u |
| Formula |
C15H18O3 |
| InChI |
InChI=1S/C15H18O3/c1-3-7-15(17)18-11-14(12(2)16)10-13-8-5-4-6-9-13/h4-6,8-10H,3,7,11H2,1-2H3/b14-10+ |
| InChIKey |
OGTKANSCTIDPPF-GXDHUFHOSA-N |
| Molecular Weight |
246.306 g/mol |
| SMILES |
CC(\C(=C\C=1C=CC=CC1)COC(CCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984681 |
