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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 Dp6Wu9YxvNv
Name Anhydroecgonine methyl ester
Catalog Number 17979
Lot Number 641292
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
Purity >=98%
Quality 986
SMILES COC(C1=CC[C@@]2(CC[C@]1(N2C)[H])[H])=O
SPLASH splash10-0udi-5900000000-abcc1f287b605773eeec
Source of Spectrum CAY-2024-2228-0
Synonyms Methylecgonidine AEME methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
Wiley ID 1890418