| SpectraBase Spectrum ID |
4mhjByM9ant |
| Name |
3-(7-Acetoxy-2-keto-4-methyl-chromen-3-yl)propionic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.110338294 u |
| Formula |
C17H18O6 |
| InChI |
InChI=1S/C17H18O6/c1-4-21-16(19)8-7-14-10(2)13-6-5-12(22-11(3)18)9-15(13)23-17(14)20/h5-6,9H,4,7-8H2,1-3H3 |
| InChIKey |
JKHIKEKJSCZBOY-UHFFFAOYSA-N |
| Molecular Weight |
318.325 g/mol |
| SMILES |
C=1(C(OC2=C(C1C)C=CC(OC(=O)C)=C2)=O)CCC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887092 |
