| SpectraBase Spectrum ID |
G8U8SR6N9SI |
| Name |
1-Hydroxy-6-amino-3,4-dithiahexane-6-carboxylic acid, N,o-di-(trifluoroacetyl), N-butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.045233972 u |
| Formula |
C13H17F6NO5S2 |
| InChI |
InChI=1S/C13H17F6NO5S2/c1-2-3-4-24-9(21)8(20-10(22)12(14,15)16)7-27-26-6-5-25-11(23)13(17,18)19/h8H,2-7H2,1H3,(H,20,22) |
| InChIKey |
FCUGOCQRDSDQCI-UHFFFAOYSA-N |
| Molecular Weight |
445.391 g/mol |
| SMILES |
C(C(OCCSSCC(NC(C(F)(F)F)=O)C(OCCCC)=O)=O)(F)(F)F |
