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Ecgonine acetate

View entire compound with spectra: 1 MS (GC)

Ecgonine acetate
SpectraBase Compound ID GlwwgGu3W0D
InChI InChI=1S/C11H17NO4/c1-6(13)16-9-5-7-3-4-8(12(7)2)10(9)11(14)15/h7-10H,3-5H2,1-2H3,(H,14,15)/t7-,8+,9?,10?/m0/s1
InChIKey NRKPBKPZDOPRAB-AFWXGSBKSA-N
Mol Weight 227.26 g/mol
Molecular Formula C11H17NO4
Exact Mass 227.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eHbUcYVdvY
Name Ecgonine acetate
Alternate Name(s) 3-(Acetyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid 3-Acetoxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid 3-Acetyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
CAS Registry Number 110532-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c1-6(13)16-9-5-7-3-4-8(12(7)2)10(9)11(14)15/h7-10H,3-5H2,1-2H3,(H,14,15)/t7-,8+,9?,10?/m0/s1
InChIKey NRKPBKPZDOPRAB-AFWXGSBKSA-N
Molecular Weight 227.260 g/mol
SMILES OC(C1[C@]2(CC[C@@](CC1OC(=O)C)(N2C)[H])[H])=O
SPLASH splash10-00yl-9710000000-c523ba2eea4ce77c86a9
Source of Spectrum JZ-1992-765-0
Wiley ID 1228498