| SpectraBase Spectrum ID |
5xgKonuKuIw |
| Name |
5-[(p-Methoxybenzyl)-5-benzyl-2,2-dimethyl-1,3-dioxacyclohexane-4,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.146723803 u |
| Formula |
C21H22O5 |
| InChI |
InChI=1S/C21H22O5/c1-20(2)25-18(22)21(19(23)26-20,13-15-7-5-4-6-8-15)14-16-9-11-17(24-3)12-10-16/h4-12H,13-14H2,1-3H3 |
| InChIKey |
SSZJKQHKRVZAEU-UHFFFAOYSA-N |
| Molecular Weight |
354.402 g/mol |
| SMILES |
C1(C(OC(OC1=O)(C)C)=O)(CC=1C=CC(=CC1)OC)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948018 |
