| SpectraBase Spectrum ID |
HrRl7tM5pJ4 |
| Name |
2-oxo-4-Phenyl-3-propynoic acid, methyl ester; 3-butynoic acid, 2-oxo-4-phenyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.047344115 u |
| Formula |
C11H8O3 |
| InChI |
InChI=1S/C11H8O3/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6H,1H3 |
| InChIKey |
CNWKUCODHXBNNS-UHFFFAOYSA-N |
| Molecular Weight |
188.182 g/mol |
| SMILES |
C(C(C#CC1=CC=CC=C1)=O)(=O)OC |
| Spectrum/Structure Validation Score (Raman) |
0.959081 |
