| SpectraBase Spectrum ID |
5QQrLNYDqMD |
| Name |
Ethyl 3-hydroxy-3-methyl-5-phenyl-pentenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.141244501 u |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-3-17-13(15)11-14(2,16)10-9-12-7-5-4-6-8-12/h4-8,16H,3,9-11H2,1-2H3 |
| InChIKey |
YWDODIGQFZJVMR-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C(O)(CC(=O)OCC)(C)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942017 |
