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Cocaine-M (ecgonine) TFATBDMS       @
SpectraBase Compound ID EOurQJAnn1j
InChI InChI=1S/C17H28F3NO4Si/c1-16(2,3)26(5,6)25-14(22)13-11-8-7-10(21(11)4)9-12(13)24-15(23)17(18,19)20/h10-13H,7-9H2,1-6H3
InChIKey ARZGPPRVPBKUJG-UHFFFAOYSA-N
Mol Weight 395.49 g/mol
Molecular Formula C17H28F3NO4Si
Exact Mass 395.173969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWfS5k4wJDl
Name Cocaine-m (ecgonine) tfatbdms @P1425
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.173969406 u
Formula C17H28F3NO4Si
InChI InChI=1S/C17H28F3NO4Si/c1-16(2,3)26(5,6)25-14(22)13-11-8-7-10(21(11)4)9-12(13)24-15(23)17(18,19)20/h10-13H,7-9H2,1-6H3
InChIKey ARZGPPRVPBKUJG-UHFFFAOYSA-N
Molecular Weight 395.494 g/mol
SMILES C12N(C(C(C(OC(C(F)(F)F)=O)C2)C(=O)O[Si](C)(C)C(C)(C)C)CC1)C