| SpectraBase Spectrum ID |
LeBWs3kaMns |
| Name |
(R)-2-Acetoxy-propionic acid (E)-(S)-1-methyl-3-phenyl-allyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.136159120 u |
| Formula |
C20H20O4 |
| InChI |
InChI=1S/C20H20O4/c1-15(13-14-17-9-5-3-6-10-17)23-20(22)19(24-16(2)21)18-11-7-4-8-12-18/h3-15,19H,1-2H3/b14-13+/t15-,19+/m0/s1 |
| InChIKey |
RLMMACDKLWKXTM-UHTSDLRISA-N |
| Molecular Weight |
324.376 g/mol |
| SMILES |
C([C@](OC(=O)C)(C1=CC=CC=C1)[H])(O[C@](\C=C\C1=CC=CC=C1)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980687 |
