| SpectraBase Spectrum ID |
48GlV5PtoIa |
| Name |
L-Glutamic acid, N-pentafluoropropionyl-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.063563300 u |
| Formula |
C10H12F5NO5 |
| InChI |
InChI=1S/C10H12F5NO5/c1-20-6(17)4-3-5(7(18)21-2)16-8(19)9(11,12)10(13,14)15/h5H,3-4H2,1-2H3,(H,16,19) |
| InChIKey |
UDXGYVRFBGIEHL-UHFFFAOYSA-N |
| Molecular Weight |
321.200 g/mol |
| SMILES |
COC(CCC(C(OC)=O)NC(C(C(F)(F)F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960202 |
