| SpectraBase Spectrum ID |
DZULiGyYvIT |
| Name |
Glutaric acid, 2-chloro-6-fluorophenyl 4-bromo-2-methoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.977542441 u |
| Formula |
C18H15BrClFO5 |
| InChI |
InChI=1S/C18H15BrClFO5/c1-24-15-10-11(19)8-9-14(15)25-16(22)6-3-7-17(23)26-18-12(20)4-2-5-13(18)21/h2,4-5,8-10H,3,6-7H2,1H3 |
| InChIKey |
YILCDVFVMLKWRN-UHFFFAOYSA-N |
| Molecular Weight |
445.668 g/mol |
| SMILES |
C(CCC(OC1=C(C=CC=C1F)Cl)=O)C(OC1=CC=C(C=C1OC)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910713 |
