| SpectraBase Spectrum ID |
DxfW78zaw2F |
| Name |
1-(4-Methoxybenzyl)-3-(3-methoxyphenyl)-3-oxopropyl acetate |
| 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/c1-14(21)25-19(11-15-7-9-17(23-2)10-8-15)13-20(22)16-5-4-6-18(12-16)24-3/h4-10,12,19H,11,13H2,1-3H3 |
| InChIKey |
UKJZXYQNIYOMFN-UHFFFAOYSA-N |
| Molecular Weight |
342.391 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC)CC(CC(C=1C=CC=C(C1)OC)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881894 |
