| SpectraBase Spectrum ID |
AVCORHRGEPH |
| Name |
Ethyl 6-metoxy-3-oxochromane-4-carboxylate |
| 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/c1-3-17-12(14)11-10-6-9(16-2)5-4-8(10)7-18-13(11)15/h4-6,11H,3,7H2,1-2H3 |
| InChIKey |
WTUSHRAFKSHAQG-UHFFFAOYSA-N |
| Molecular Weight |
250.250 g/mol |
| SMILES |
C1(C=2C(=CC=C(C2)OC)COC1=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923588 |
