| SpectraBase Spectrum ID |
7JvlFpWb4cT |
| Name |
5-[(p-Chlorobenzyl)-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 |
358.097186788 u |
| Formula |
C20H19ClO4 |
| InChI |
InChI=1S/C20H19ClO4/c1-19(2)24-17(22)20(18(23)25-19,12-14-6-4-3-5-7-14)13-15-8-10-16(21)11-9-15/h3-11H,12-13H2,1-2H3 |
| InChIKey |
NWKRBOMTXDGUMP-UHFFFAOYSA-N |
| Molecular Weight |
358.821 g/mol |
| SMILES |
C1(C(OC(OC1=O)(C)C)=O)(CC=1C=CC(=CC1)Cl)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926448 |
