| SpectraBase Spectrum ID |
FUStWpqENgP |
| Name |
Benzoic acid, 4-fluoro-3-nitro-, 1-methylheptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.137636287 u |
| Formula |
C15H20FNO4 |
| InChI |
InChI=1S/C15H20FNO4/c1-3-4-5-6-7-11(2)21-15(18)12-8-9-13(16)14(10-12)17(19)20/h8-11H,3-7H2,1-2H3 |
| InChIKey |
MAOXXSURRYEDFO-UHFFFAOYSA-N |
| Molecular Weight |
297.326 g/mol |
| SMILES |
CCCCCCC(C)OC(=O)C1=CC=C(C(=C1)N(=O)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875901 |
