| SpectraBase Spectrum ID |
4CrA47imMZb |
| Name |
Glycine, N-(trifluoroacetyl)-, 1-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
241.092577801 u |
| Formula |
C9H14F3NO3 |
| InChI |
InChI=1S/C9H14F3NO3/c1-3-4-6(2)16-7(14)5-13-8(15)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,15) |
| InChIKey |
DPUNXQUBFPUAAD-UHFFFAOYSA-N |
| Molecular Weight |
241.210 g/mol |
| SMILES |
C(C(F)(F)F)(NCC(OC(CCC)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824913 |
