| SpectraBase Spectrum ID |
LUZE6AwsLz6 |
| Name |
Ethyl (E,S)-4-benzoyloxypent-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.104858991 u |
| Formula |
C14H16O4 |
| InChI |
InChI=1S/C14H16O4/c1-3-17-13(15)10-9-11(2)18-14(16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/b10-9+/t11-/m0/s1 |
| InChIKey |
FWCRWMXFEBUHAX-USKTWTLRSA-N |
| Molecular Weight |
248.278 g/mol |
| SMILES |
C(O[C@](\C=C\C(=O)OCC)(C)[H])(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892885 |
