| SpectraBase Spectrum ID |
LdIj8D74iuU |
| Name |
Succinic acid, di(2-fluoro-5-nitrobenzyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.071821737 u |
| Formula |
C18H14F2N2O8 |
| InChI |
InChI=1S/C18H14F2N2O8/c19-15-3-1-13(21(25)26)7-11(15)9-29-17(23)5-6-18(24)30-10-12-8-14(22(27)28)2-4-16(12)20/h1-4,7-8H,5-6,9-10H2 |
| InChIKey |
QAKCIUIJURYERK-UHFFFAOYSA-N |
| Molecular Weight |
424.313 g/mol |
| SMILES |
C(CCC(OCC1=CC(=CC=C1F)N(=O)=O)=O)(OCC1=CC(=CC=C1F)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849176 |
