| SpectraBase Spectrum ID |
2VzAIGKbTkZ |
| Name |
3-(7-Hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid, o,o'-dimethyl- |
| 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/c1-23-17-12-18-16(10-14(17)8-9-19(21)24-2)15(11-20(22)25-18)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3 |
| InChIKey |
KRAAVLPWNZLQGJ-UHFFFAOYSA-N |
| Molecular Weight |
338.359 g/mol |
| SMILES |
C(CCC1=C(C=C2OC(C=C(C2=C1)C1=CC=CC=C1)=O)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856515 |
