SpectraBase Spectrum ID |
EzAUxr9cBLL |
Name |
Glutaric acid, dec-2-yl 2-bromo-4-fluorophenyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
444.131150605 u |
Formula |
C21H30BrFO4 |
InChI |
InChI=1S/C21H30BrFO4/c1-3-4-5-6-7-8-10-16(2)26-20(24)11-9-12-21(25)27-19-14-13-17(23)15-18(19)22/h13-16H,3-12H2,1-2H3 |
InChIKey |
PHENHSSATCWPQG-UHFFFAOYSA-N |
Molecular Weight |
445.369 g/mol |
SMILES |
C(CCC(OC(C)CCCCCCCC)=O)C(OC=1C(=CC(=CC1)F)Br)=O |