| SpectraBase Spectrum ID |
CsjO4imUQYu |
| Name |
Ethyl 5-acetoxy-2-hydroxy-3-ethyl-4-methyl-6-phenylbenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.146723803 u |
| Formula |
C20H22O5 |
| InChI |
InChI=1S/C20H22O5/c1-5-15-12(3)19(25-13(4)21)16(14-10-8-7-9-11-14)17(18(15)22)20(23)24-6-2/h7-11,22H,5-6H2,1-4H3 |
| InChIKey |
GHKUVVQPRSVEPE-UHFFFAOYSA-N |
| Molecular Weight |
342.391 g/mol |
| SMILES |
C(C=1C(=C(C(=C(C1C=1C=CC=CC1)OC(=O)C)C)CC)O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812911 |
