| SpectraBase Spectrum ID |
CLoRBUcJabb |
| Name |
Glutaric acid, 2-chloro-6-fluorophenyl 2-propylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.103414983 u |
| Formula |
C20H20ClFO4 |
| InChI |
InChI=1S/C20H20ClFO4/c1-2-7-14-8-3-4-11-17(14)25-18(23)12-6-13-19(24)26-20-15(21)9-5-10-16(20)22/h3-5,8-11H,2,6-7,12-13H2,1H3 |
| InChIKey |
ATTZEQBVDLLULU-UHFFFAOYSA-N |
| Molecular Weight |
378.827 g/mol |
| SMILES |
C(CCC(OC1=C(C=CC=C1F)Cl)=O)C(OC=1C(CCC)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833599 |
