| SpectraBase Spectrum ID |
1p4mOIA8xCm |
| Name |
2-oxo-3-[3-Methoxybenzoyl]propanoic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.084123546 u |
| Formula |
C13H14O5 |
| InChI |
InChI=1S/C13H14O5/c1-3-18-13(16)12(15)8-11(14)9-5-4-6-10(7-9)17-2/h4-7H,3,8H2,1-2H3 |
| InChIKey |
QUKANMABXJIQRZ-UHFFFAOYSA-N |
| Molecular Weight |
250.250 g/mol |
| SMILES |
C1=C(C=C(C=C1)OC)C(CC(C(OCC)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899702 |
![2-oxo-3-[3-Methoxybenzoyl]propanoic acid, ethyl ester](/api/spectrum/1p4mOIA8xCm/structure.png?h=300&w=458 "2-oxo-3-[3-Methoxybenzoyl]propanoic acid, ethyl ester")
