| SpectraBase Spectrum ID |
JzDZ5bRH2dI |
| Name |
Alanine, 3,3'-thiobis[N-(trifluoroacetyl)-, dimethyl ester, L- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.047676325 u |
| Formula |
C12H14F6N2O6S |
| InChI |
InChI=1S/C12H14F6N2O6S/c1-25-7(21)5(19-9(23)11(13,14)15)3-27-4-6(8(22)26-2)20-10(24)12(16,17)18/h5-6H,3-4H2,1-2H3,(H,19,23)(H,20,24)/t5-,6?/m0/s1 |
| InChIKey |
YJMKIEZRFCEKMA-ZBHICJROSA-N |
| Molecular Weight |
428.302 g/mol |
| SMILES |
C(C(NC(C(=O)OC)CSC[C@](NC(C(F)(F)F)=O)(C(=O)OC)[H])=O)(F)(F)F |
