SpectraBase Spectrum ID |
9mPEAsSIJxZ |
Name |
Glutaric acid, 2-chloro-6-fluorophenyl 4-biphenyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
412.087764919 u |
Formula |
C23H18ClFO4 |
InChI |
InChI=1S/C23H18ClFO4/c24-19-8-4-9-20(25)23(19)29-22(27)11-5-10-21(26)28-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-4,6-9,12-15H,5,10-11H2 |
InChIKey |
GFNVBNFYJWTFFI-UHFFFAOYSA-N |
Molecular Weight |
412.844 g/mol |
SMILES |
C1=CC=C(C=C1)C1=CC=C(OC(=O)CCCC(OC2=C(C=CC=C2F)Cl)=O)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897999 |