| SpectraBase Spectrum ID |
9gcanNigvTg |
| Name |
(2S,3S)-3-Methyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
241.092577801 u |
| Formula |
C9H14F3NO3 |
| InChI |
InChI=1S/C9H14F3NO3/c1-4-5(2)6(7(14)16-3)13-8(15)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,15)/t5-,6-/m0/s1 |
| InChIKey |
UCZSTIJGBNHXSO-WDSKDSINSA-N |
| Molecular Weight |
241.210 g/mol |
| SMILES |
C(C(F)(F)F)(N[C@](C(=O)OC)([C@](CC)(C)[H])[H])=O |
![(2S,3S)-3-methyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanoic acid methyl ester](/api/spectrum/9gcanNigvTg/structure.png?h=300&w=458 "(2S,3S)-3-methyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanoic acid methyl ester")
