| SpectraBase Spectrum ID |
1BiSYh1q2NT |
| Name |
Glutaric acid, 2-fluorophenyl 3-nitrobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.096165396 u |
| Formula |
C18H16FNO6 |
| InChI |
InChI=1S/C18H16FNO6/c19-15-7-1-2-8-16(15)26-18(22)10-4-9-17(21)25-12-13-5-3-6-14(11-13)20(23)24/h1-3,5-8,11H,4,9-10,12H2 |
| InChIKey |
FNBBSSTYTXOSTI-UHFFFAOYSA-N |
| Molecular Weight |
361.325 g/mol |
| SMILES |
C(CCC(OC1=CC=CC=C1F)=O)C(OCC=1C=CC=C(N(=O)=O)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979185 |
