| SpectraBase Spectrum ID |
DJeAeXwzUnf |
| Name |
Benzoic acid, 3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.136159120 u |
| Formula |
C21H20O4 |
| InChI |
InChI=1S/C21H20O4/c1-14-17(24-20(23)16-12-8-5-9-13-16)21(2,3)18(25-19(14)22)15-10-6-4-7-11-15/h4-13,18H,1-3H3 |
| InChIKey |
UXXMZHQXFIACTH-UHFFFAOYSA-N |
| Molecular Weight |
336.387 g/mol |
| SMILES |
C1(=C(C(=O)OC(C1(C)C)C=1C=CC=CC1)C)OC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887285 |
