| SpectraBase Spectrum ID |
JE7ikLTpFfK |
| Name |
6-Methylchromone-2-carboxylic acid, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.089208927 u |
| Formula |
C14H14O4 |
| InChI |
InChI=1S/C14H14O4/c1-8(2)17-14(16)13-7-11(15)10-6-9(3)4-5-12(10)18-13/h4-8H,1-3H3 |
| InChIKey |
YHAVSHKETNLCCT-UHFFFAOYSA-N |
| Molecular Weight |
246.262 g/mol |
| SMILES |
C1=CC=2OC(C(OC(C)C)=O)=CC(C2C=C1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913772 |
