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Ecgoninemethyl ester
SpectraBase Compound ID HJPgqKzGz7j
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-/m0/s1
InChIKey QIQNNBXHAYSQRY-CUIKDFOKSA-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 5eoukGtVSEi
Name Ecgonine methyl ester
CAS Registry Number 106293-60-1
Comments Structure changed after expert review
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-/m0/s1
InChIKey QIQNNBXHAYSQRY-CUIKDFOKSA-N
Molecular Weight 199.250 g/mol
SMILES OC1C[C@@]2(CC[C@@](N2C)([C@@]1(C(OC)=O)[H])[H])[H]
SPLASH splash10-001j-9100000000-d4a6f77b7441072ea7fa
Source of Spectrum JZ-1992-3252-0
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 1196649