| SpectraBase Spectrum ID |
JLKZGLP2Of |
| Name |
L-Aspartic acid, N-(trifluoroacetyl)-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.051106910 u |
| Formula |
C8H10F3NO5 |
| InChI |
InChI=1S/C8H10F3NO5/c1-16-5(13)3-4(6(14)17-2)12-7(15)8(9,10)11/h4H,3H2,1-2H3,(H,12,15)/t4-/m0/s1 |
| InChIKey |
BMMOKCXZISDJCQ-BYPYZUCNSA-N |
| Molecular Weight |
257.165 g/mol |
| SMILES |
[C@@](NC(C(F)(F)F)=O)(CC(OC)=O)(C(OC)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979542 |
