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Anhydroecgonine methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 8 MS (GC)

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 ExKoB0o3Feg
Name Ecgonidine, methyl ester
CAS Registry Number 127379-24-2
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 C1[C@]2(CC=C(C(=O)OC)[C@](C1)([H])N2C)[H]
SPLASH splash10-0udi-4900000000-c808ef5bdd1ebe87f8b1
Synonyms 2-Carbomethoxy-8-methyl-8-azabicyclo[3.2.1]2-octene Anhydroecgonine methyl ester (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate Methyl (1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
Wiley ID 1509991