| SpectraBase Spectrum ID |
FQUU2sVCSV4 |
| Name |
Glutaric acid, 2,3-dichlorophenyl 1-naphthyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.042564391 u |
| Formula |
C21H16Cl2O4 |
| InChI |
InChI=1S/C21H16Cl2O4/c22-16-9-4-11-18(21(16)23)27-20(25)13-5-12-19(24)26-17-10-3-7-14-6-1-2-8-15(14)17/h1-4,6-11H,5,12-13H2 |
| InChIKey |
KLEGTRFNGPZTEH-UHFFFAOYSA-N |
| Molecular Weight |
403.261 g/mol |
| SMILES |
C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OC=1C2=C(C=CC1)C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845763 |
