SpectraBase Spectrum ID |
E0AcDlNrcd4 |
Name |
Fumaric acid, 4-chlorophenyl 2-fluorophenyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
320.025164661 u |
Formula |
C16H10ClFO4 |
InChI |
InChI=1S/C16H10ClFO4/c17-11-5-7-12(8-6-11)21-15(19)9-10-16(20)22-14-4-2-1-3-13(14)18/h1-10H/b10-9+ |
InChIKey |
YOSSXVUCJURFLN-MDZDMXLPSA-N |
Molecular Weight |
320.703 g/mol |
SMILES |
C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=CC=C(C=C1)Cl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869014 |