| SpectraBase Spectrum ID |
5AtspCmZYwL |
| Name |
Propanedioic acid, (1-oxo-2,3-diphenyl-2-propenyl)-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.115423675 u |
| Formula |
C20H18O5 |
| InChI |
InChI=1S/C20H18O5/c1-24-19(22)17(20(23)25-2)18(21)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-13,17H,1-2H3/b16-13+ |
| InChIKey |
NCPMCBUWJUPYAZ-DTQAZKPQSA-N |
| Molecular Weight |
338.359 g/mol |
| SMILES |
C(\C(=C\C1=CC=CC=C1)C=1C=CC=CC1)(C(C(=O)OC)C(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889701 |
