| SpectraBase Spectrum ID |
DCKX9cumvj9 |
| Name |
Glutaric acid, 2-chloro-6-fluorophenyl 4-bromophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.966977758 u |
| Formula |
C17H13BrClFO4 |
| InChI |
InChI=1S/C17H13BrClFO4/c18-11-7-9-12(10-8-11)23-15(21)5-2-6-16(22)24-17-13(19)3-1-4-14(17)20/h1,3-4,7-10H,2,5-6H2 |
| InChIKey |
MMRFYCGEMSVNCC-UHFFFAOYSA-N |
| Molecular Weight |
415.642 g/mol |
| SMILES |
C(CCC(OC1=C(C=CC=C1F)Cl)=O)C(OC=1C=CC(=CC1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951387 |
