| SpectraBase Spectrum ID |
J4iokKOTqT8 |
| Name |
Methyl 4-(2-chlorophenyl)-2,4-dioxobutanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.018936466 u |
| Formula |
C11H9ClO4 |
| InChI |
InChI=1S/C11H9ClO4/c1-16-11(15)10(14)6-9(13)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3 |
| InChIKey |
GNKBFLQRYZPLOA-UHFFFAOYSA-N |
| Molecular Weight |
240.642 g/mol |
| SMILES |
C(C(CC(=O)C=1C(=CC=CC1)Cl)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813195 |
