For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Butyl 2,3,4,6-tetradeoxy-5-o-(trifluoroacetyl)-2,6-bis[(trifluoroacetyl)amino]hexonate
SpectraBase Compound ID 12VqgL9WMeJ
InChI InChI=1S/C16H19F9N2O6/c1-2-3-6-32-10(28)9(27-12(30)15(20,21)22)5-4-8(33-13(31)16(23,24)25)7-26-11(29)14(17,18)19/h8-9H,2-7H2,1H3,(H,26,29)(H,27,30)
InChIKey WSCHNJVTHRKEON-UHFFFAOYSA-N
Mol Weight 506.32 g/mol
Molecular Formula C16H19F9N2O6
Exact Mass 506.10994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A7nzzEXoDRX
Name Butyl 2,3,4,6-tetradeoxy-5-o-(trifluoroacetyl)-2,6-bis[(trifluoroacetyl)amino]hexonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.109939801 u
Formula C16H19F9N2O6
InChI InChI=1S/C16H19F9N2O6/c1-2-3-6-32-10(28)9(27-12(30)15(20,21)22)5-4-8(33-13(31)16(23,24)25)7-26-11(29)14(17,18)19/h8-9H,2-7H2,1H3,(H,26,29)(H,27,30)
InChIKey WSCHNJVTHRKEON-UHFFFAOYSA-N
Molecular Weight 506.322 g/mol
SMILES C(=O)(NCC(CCC(C(OCCCC)=O)NC(C(F)(F)F)=O)OC(C(F)(F)F)=O)C(F)(F)F