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Benzoylecgonine
SpectraBase Compound ID KYd4CtoJyUZ
InChI InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14-/m0/s1
InChIKey GVGYEFKIHJTNQZ-CRWXNKLISA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FywVdXYVBI4
Name BENZOYL-ECGONINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14-/m0/s1
InChIKey GVGYEFKIHJTNQZ-CRWXNKLISA-N
Literature Reference Author A.ZURUTUZA,S.BAYOUDH,P.A.G.CORMACK,L.DAMBIES,J.DEERE,R.BISCH OFF,D.C.SHERRINGTON
Literature Reference Citation ANAL.CHIM.ACTA,542,14(2005)
Literature Reference DOI 10.1016/j.aca.2004.12.019
Molecular Weight 289.331 g/mol
Solvent CD3OD
Source File Reference UWBT11201