| SpectraBase Spectrum ID |
6RtxJNT4LiS |
| Name |
Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-nitrobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.083549853 u |
| Formula |
C15H15F4NO6 |
| InChI |
InChI=1S/C15H15F4NO6/c16-14(17)15(18,19)9-26-13(22)6-2-5-12(21)25-8-10-3-1-4-11(7-10)20(23)24/h1,3-4,7,14H,2,5-6,8-9H2 |
| InChIKey |
VNMCKXNEUTYEFV-UHFFFAOYSA-N |
| Molecular Weight |
381.280 g/mol |
| SMILES |
C(CCC(OCC(C(F)F)(F)F)=O)C(OCC=1C=CC=C(N(=O)=O)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961244 |
