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Pseudoecgonine methyl ester

View entire compound with spectra: 3 MS (GC)

Pseudoecgonine methyl ester
SpectraBase Compound ID 35ovZSy4W21
InChI InChI=1S/C10H17NO3/c1-11-7-3-4-10(11,9(13)14-2)6-8(12)5-7/h7-8,12H,3-6H2,1-2H3/t7-,8?,10+/m1/s1
InChIKey XTSCVMBKKFMLQC-SHTILUHOSA-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 AsplbRH5HGN
Name Pseudoecgonine, methyl ester
CAS Registry Number 99189-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17NO3
InChI InChI=1S/C10H17NO3/c1-11-7-3-4-10(11,9(13)14-2)6-8(12)5-7/h7-8,12H,3-6H2,1-2H3/t7-,8?,10+/m1/s1
InChIKey XTSCVMBKKFMLQC-SHTILUHOSA-N
Molecular Weight 199.250 g/mol
SMILES OC1C[C@@]2(CC[C@](C1)(N2C)[H])C(OC)=O
SPLASH splash10-001j-9100000000-04239ba50129679de4ac
Source of Spectrum JZ-1992-1168-0
Synonyms Methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate Methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-5-carboxylate Methyl 8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-5-carboxylate 3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-5-carboxylic acid methyl ester
Wiley ID 1196651