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Cocaine-M/A (methylecgonine) AC     @
SpectraBase Compound ID 2dkV92cDkyk
InChI InChI=1S/C12H19NO4/c1-7(14)17-10-6-8-4-5-9(13(8)2)11(10)12(15)16-3/h8-11H,4-6H2,1-3H3
InChIKey UFYUFRXNCJWTSG-UHFFFAOYSA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84TGdkh8puG
Name Acetoxyecgonine methyl ester
Alternate Name(s) 3-Acetyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester 3-Acetoxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Methyl 3-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Methyl 3-acetoxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Methyl 3-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CAS Registry Number 203320-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c1-7(14)17-10-6-8-4-5-9(13(8)2)11(10)12(15)16-3/h8-11H,4-6H2,1-3H3
InChIKey UFYUFRXNCJWTSG-UHFFFAOYSA-N
Molecular Weight 241.287 g/mol
SMILES C12C(C(OC(=O)C)CC(N2C)CC1)C(=O)OC
SPLASH splash10-001i-9310000000-259526a7b4596298827c
Source of Spectrum CJ-1992-0-0
Wiley ID 1244000