| SpectraBase Spectrum ID |
EsVM1Hvg00M |
| Name |
Succinic acid, 5-fluoro-2-nitrophenyl 2-biphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.096165396 u |
| Formula |
C22H16FNO6 |
| InChI |
InChI=1S/C22H16FNO6/c23-16-10-11-18(24(27)28)20(14-16)30-22(26)13-12-21(25)29-19-9-5-4-8-17(19)15-6-2-1-3-7-15/h1-11,14H,12-13H2 |
| InChIKey |
DROFBJMREVDMNC-UHFFFAOYSA-N |
| Molecular Weight |
409.369 g/mol |
| SMILES |
C1=CC=C(C=C1)C=1C(OC(CCC(OC2=C(C=CC(=C2)F)N(=O)=O)=O)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900932 |
