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Anhydroecgonine methyl ester
SpectraBase Compound ID KQErPIhdl8n
InChI InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1
InChIKey MPSNEAHFGOEKBI-VXNVDRBHSA-N
Mol Weight 181.23 g/mol
Molecular Formula C10H15NO2
Exact Mass 181.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4olQRNVknXm
Name Ecgonidine, methyl ester
CAS Registry Number 43021-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15NO2
InChI InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1
InChIKey MPSNEAHFGOEKBI-VXNVDRBHSA-N
Molecular Weight 181.235 g/mol
SMILES C=1([C@@]2(N(C)[C@](CC1)(CC2)[H])[H])C(=O)OC
SPLASH splash10-0ue9-2900000000-677ec65c8455de0c2241
Source of Spectrum J-56-5699-1
Synonyms Methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate 2-Carbomethoxy-8-methyl-8-azabicyclo[3.2.1]2-octene 2-Carbomethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene 8-Azabicyclo(3.2.1)oct-2-ene-2-carboxylic acid, 8-methyl-, methyl ester, (1R,5S)- 8-Methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Anhydromethylecgonine (-)-Anhydroecgonine methyl ester Methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Methyl ecgonidine
Wiley ID 1177527