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Ecgoninemethyl ester
SpectraBase Compound ID JgduwDZovQ6
InChI InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m1/s1
InChIKey QIQNNBXHAYSQRY-XAVMHZPKSA-N
Mol Weight 199.25 g/mol
Molecular Formula C10H17NO3
Exact Mass 199.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gmnH7li0Pl
Name Ecgonine methyl ester
CAS Registry Number 106293-60-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17NO3
InChI InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m1/s1
InChIKey QIQNNBXHAYSQRY-XAVMHZPKSA-N
Molecular Weight 199.250 g/mol
SMILES O[C@]1([C@]([C@]2(N([C@@](C1)(CC2)[H])C)[H])(C(=O)OC)[H])[H]
SPLASH splash10-001m-9100000000-0c9b2bdcac6f4897f955
Source of Spectrum XD-66-0-0
Synonyms 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, methyl ester Methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Methyl 8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Wiley ID 1196643