| SpectraBase Spectrum ID |
2QIFxNpksqv |
| Name |
Glutaric 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 |
313.096165396 u |
| Formula |
C14H16FNO6 |
| InChI |
InChI=1S/C14H16FNO6/c1-2-21-13(17)4-3-5-14(18)22-9-10-8-11(16(19)20)6-7-12(10)15/h6-8H,2-5,9H2,1H3 |
| InChIKey |
PMUFMMRQYNXOFB-UHFFFAOYSA-N |
| Molecular Weight |
313.281 g/mol |
| SMILES |
C(OCC1=CC(=CC=C1F)N(=O)=O)(=O)CCCC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834716 |
