SpectraBase Spectrum ID |
HREtazES3K8 |
Name |
Methyl 4-(2H-chromen-3-yl)-2,4-dioxobutanoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
260.068473481 u |
Formula |
C14H12O5 |
InChI |
InChI=1S/C14H12O5/c1-18-14(17)12(16)7-11(15)10-6-9-4-2-3-5-13(9)19-8-10/h2-6H,7-8H2,1H3 |
InChIKey |
AKEKAHQKKRMBNW-UHFFFAOYSA-N |
Molecular Weight |
260.245 g/mol |
SMILES |
COC(=O)C(=O)CC(=O)C1=CC2=CC=CC=C2OC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878247 |