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1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid, methyl ester
SpectraBase Compound ID 6nwPhRKxpWt
InChI InChI=1S/C9H13NO2/c1-12-9(11)8-6-10-4-2-7(8)3-5-10/h6-7H,2-5H2,1H3
InChIKey SDEKJEJGZPSNFT-UHFFFAOYSA-N
Mol Weight 167.21 g/mol
Molecular Formula C9H13NO2
Exact Mass 167.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMaiBMkNG80
Name 1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid, methyl ester
CAS Registry Number 31539-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO2
InChI InChI=1S/C9H13NO2/c1-12-9(11)8-6-10-4-2-7(8)3-5-10/h6-7H,2-5H2,1H3
InChIKey SDEKJEJGZPSNFT-UHFFFAOYSA-N
Molecular Weight 167.208 g/mol
SMILES COC(=O)C1=CN2CCC1CC2
SPLASH splash10-0006-9500000000-a67da8cd8c3fa57f98b2
Source of Spectrum O-7-1131-16
Synonyms Methyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate Dehydroquinuclidine-3-carboxylic acid Methyl dehydroquinuclidine-3-carboxylate BRN 0132895
Wiley ID 1163629