| SpectraBase Spectrum ID |
CuuaUm4oUgn |
| Name |
Glutaric acid, 2-chloro-4-methoxyphenyl 2-chloro-6-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.028057141 u |
| Formula |
C18H15Cl2FO5 |
| InChI |
InChI=1S/C18H15Cl2FO5/c1-24-11-8-9-15(13(20)10-11)25-16(22)6-3-7-17(23)26-18-12(19)4-2-5-14(18)21/h2,4-5,8-10H,3,6-7H2,1H3 |
| InChIKey |
UHXVNIMVRRQGDS-UHFFFAOYSA-N |
| Molecular Weight |
401.217 g/mol |
| SMILES |
C(CCCC(OC1=C(C=CC=C1F)Cl)=O)(OC1=CC=C(OC)C=C1Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824775 |
