| SpectraBase Spectrum ID |
KWh3VyBUamq |
| Name |
Ethyl 4-(3,4-dimethoxyphenyl)-2,4-dioxobutanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.094688229 u |
| Formula |
C14H16O6 |
| InChI |
InChI=1S/C14H16O6/c1-4-20-14(17)11(16)8-10(15)9-5-6-12(18-2)13(7-9)19-3/h5-7H,4,8H2,1-3H3 |
| InChIKey |
QKDCYXNBYBQHTI-UHFFFAOYSA-N |
| SMILES |
C1(=C(C=CC(=C1)C(CC(C(OCC)=O)=O)=O)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953923 |
