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

*Links on SpectraBase are not permalinks.

(-)-Benzoylecgonine

View entire compound with spectra: 7 MS (GC)

(-)-Benzoylecgonine
SpectraBase Compound ID 3xtTuFVNfvY
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+/m1/s1
InChIKey GVGYEFKIHJTNQZ-RQJABVFESA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID DuYAO6NCSuI
Name (-)-Benzoylecgonine
Alternate Name(s) 3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, [1R-(exo,exo)]- 1.alpha.H,5.alpha.H-Tropane-2.beta.-carboxylic acid, 3.beta.-hydroxy-, benzoate (ester) 3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl- 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)- 8-Methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylic acid Benzoylecogonine Cocaine metabolite o-Benzoyl-(-)-ecgonine EINECS 208-263-5
CAS Registry Number 519-09-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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+/m1/s1
InChIKey GVGYEFKIHJTNQZ-RQJABVFESA-N
Molecular Weight 289.331 g/mol
SMILES OC([C@]1([C@]2(N([C@@](C[C@]1(OC(=O)c1ccccc1)[H])(CC2)[H])C)[H])[H])=O
SPLASH splash10-0089-9500000000-0e754d8dbac73e4e7c3a
Source of Spectrum W5-25997-0-0
Wiley ID 1292618