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

*Links on SpectraBase are not permalinks.

Ecgonine, chlorodifluoroacetate, ethyl ester

View entire compound with spectra: 1 NMR

Ecgonine, chlorodifluoroacetate, ethyl ester
SpectraBase Compound ID Dq04DFYklvp
InChI InChI=1S/C13H18ClF2NO4/c1-3-20-11(18)10-8-5-4-7(17(8)2)6-9(10)21-12(19)13(14,15)16/h7-10H,3-6H2,1-2H3/t7-,8+,9-,10+/m0/s1
InChIKey ZCCOCLKQUYPULZ-QCLAVDOMSA-N
Mol Weight 325.74 g/mol
Molecular Formula C13H18ClF2NO4
Exact Mass 325.089242 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 H965XiZbbBz
Name Ecgonine, chlorodifluoroacetate, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.089242086 u
Formula C13H18ClF2NO4
InChI InChI=1S/C13H18ClF2NO4/c1-3-20-11(18)10-8-5-4-7(17(8)2)6-9(10)21-12(19)13(14,15)16/h7-10H,3-6H2,1-2H3/t7-,8+,9-,10+/m0/s1
InChIKey ZCCOCLKQUYPULZ-QCLAVDOMSA-N
Molecular Weight 325.740 g/mol
SMILES [C@@]1([C@@]2(N([C@](C[C@@]1(OC(C(F)(F)Cl)=O)[H])(CC2)[H])C)[H])(C(OCC)=O)[H]