| SpectraBase Spectrum ID |
LvZwycQCQ0j |
| Name |
Glutaric acid, 2-chloro-6-fluorophenyl 2-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.072114854 u |
| Formula |
C18H16ClFO4 |
| InChI |
InChI=1S/C18H16ClFO4/c1-12-6-2-3-9-15(12)23-16(21)10-5-11-17(22)24-18-13(19)7-4-8-14(18)20/h2-4,6-9H,5,10-11H2,1H3 |
| InChIKey |
WCYNUOQWFLREJX-UHFFFAOYSA-N |
| Molecular Weight |
350.773 g/mol |
| SMILES |
C(CCC(OC1=C(C=CC=C1F)Cl)=O)C(OC=1C(C)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878989 |
