| SpectraBase Spectrum ID |
HZDd84gkKIi |
| Name |
Chromone-2-carboxylic acid, N-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.073558862 u |
| Formula |
C13H12O4 |
| InChI |
InChI=1S/C13H12O4/c1-2-7-16-13(15)12-8-10(14)9-5-3-4-6-11(9)17-12/h3-6,8H,2,7H2,1H3 |
| InChIKey |
VKCCONQDMWKUOB-UHFFFAOYSA-N |
| Molecular Weight |
232.235 g/mol |
| SMILES |
C1=CC=C2C(=C1)OC(C(OCCC)=O)=CC2=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947524 |
