| SpectraBase Spectrum ID |
GGpIwFMgaDO |
| Name |
N-Methyl-N-heptafluorobutyryl-L-threonine, methyl ether, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.081105072 u |
| Formula |
C11H14F7NO4 |
| InChI |
InChI=1S/C11H14F7NO4/c1-5(22-3)6(7(20)23-4)19(2)8(21)9(12,13)10(14,15)11(16,17)18/h5-6H,1-4H3 |
| InChIKey |
WHVFMHMOSJBDKR-UHFFFAOYSA-N |
| Molecular Weight |
357.225 g/mol |
| SMILES |
CC(C(C(OC)=O)N(C)C(=O)C(C(C(F)(F)F)(F)F)(F)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926443 |
