| SpectraBase Spectrum ID |
9lLAIdr5wj |
| Name |
Terephthalic acid, ethyl 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 |
347.080515332 u |
| Formula |
C17H14FNO6 |
| InChI |
InChI=1S/C17H14FNO6/c1-2-24-16(20)11-3-5-12(6-4-11)17(21)25-10-13-9-14(19(22)23)7-8-15(13)18/h3-9H,2,10H2,1H3 |
| InChIKey |
NTWFENWAIXZFAF-UHFFFAOYSA-N |
| Molecular Weight |
347.298 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC)=O)C(=O)OCC1=C(C=CC(=C1)N(=O)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89074 |
