| SpectraBase Spectrum ID |
HQSlapueyJe |
| Name |
2,6-Dimethyl-4-phenyl-4H-pyran-3,5-dicarboxylic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.146723803 u |
| Formula |
C19H22O5 |
| InChI |
InChI=1S/C19H22O5/c1-5-22-18(20)15-12(3)24-13(4)16(19(21)23-6-2)17(15)14-10-8-7-9-11-14/h7-11,17H,5-6H2,1-4H3 |
| InChIKey |
BUTMHFPJIIMPHS-UHFFFAOYSA-N |
| Molecular Weight |
330.380 g/mol |
| SMILES |
C=1C(=CC=CC1)C1C(=C(OC(=C1C(OCC)=O)C)C)C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.749227 |
