| SpectraBase Spectrum ID |
BlZa70T4u1j |
| Name |
Glutaric acid, 2-fluorophenyl 3-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.080515332 u |
| Formula |
C17H14FNO6 |
| InChI |
InChI=1S/C17H14FNO6/c18-14-7-1-2-8-15(14)25-17(21)10-4-9-16(20)24-13-6-3-5-12(11-13)19(22)23/h1-3,5-8,11H,4,9-10H2 |
| InChIKey |
WRKMAQQLEIOZLE-UHFFFAOYSA-N |
| Molecular Weight |
347.298 g/mol |
| SMILES |
C(CCC(OC1=CC=CC=C1F)=O)C(OC1=CC=CC(=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83331 |
