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Ecgonidine

View entire compound with spectra: 1 MS (GC)

Ecgonidine
SpectraBase Compound ID FThjJyXMNzJ
InChI InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12)/t6-,8-/m1/s1
InChIKey HZGRVVUQEIBCMS-HTRCEHHLSA-N
Mol Weight 167.21 g/mol
Molecular Formula C9H13NO2
Exact Mass 167.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kz0xsbvFdIy
Name Ecgonidine
Alternate Name(s) (1R)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid 8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid Anhydroecgonine 8-Azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid, 8-methyl-, (1R)- (1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
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Formula C9H13NO2
InChI InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12)/t6-,8-/m1/s1
InChIKey HZGRVVUQEIBCMS-HTRCEHHLSA-N
Molecular Weight 167.208 g/mol
SMILES OC(C1=CC[C@@]2([H])N([C@]1([H])CC2)C)=O
SPLASH splash10-000i-8900000000-711b5d59884fb5fa9511
Source of Spectrum SWG-33-2468-0
Wiley ID 1809712