| SpectraBase Spectrum ID |
FGMNGbjPnsI |
| Name |
Succinic 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 |
367.067899789 u |
| Formula |
C14H13F4NO6 |
| InChI |
InChI=1S/C14H13F4NO6/c15-13(16)14(17,18)8-25-12(21)5-4-11(20)24-7-9-2-1-3-10(6-9)19(22)23/h1-3,6,13H,4-5,7-8H2 |
| InChIKey |
FQTVEUWYOIOYMZ-UHFFFAOYSA-N |
| Molecular Weight |
367.253 g/mol |
| SMILES |
C(CC(OCC(C(F)F)(F)F)=O)C(OCC1=CC=CC(=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963988 |
