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(1R*,4S*,5S*)-2-AZABICYCLO-[2.1.1]-HEXANE-5-CARBOXYLIC-ACID
SpectraBase Compound ID IyaeT3CVP1u
InChI InChI=1S/C6H9NO2/c8-6(9)5-3-1-4(5)7-2-3/h3-5,7H,1-2H2,(H,8,9)/t3-,4-,5+/m1/s1
InChIKey PHWQENQNPXCFPZ-WDCZJNDASA-N
Mol Weight 127.14 g/mol
Molecular Formula C6H9NO2
Exact Mass 127.063329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HEXqR47EXcp
Name (1R*,4S*,5S*)-2-AZABICYCLO-[2.1.1]-HEXANE-5-CARBOXYLIC-ACID
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H9NO2
InChI InChI=1S/C6H9NO2/c8-6(9)5-3-1-4(5)7-2-3/h3-5,7H,1-2H2,(H,8,9)/t3-,4-,5+/m1/s1
InChIKey PHWQENQNPXCFPZ-WDCZJNDASA-N
Literature Reference Author C.LESCOP,L.MEVELLEC,F.HUET
Literature Reference Citation J.ORG.CHEM.,66,4187(2001)
Literature Reference DOI 10.1021/jo001790y
Molecular Weight 127.143 g/mol
Solvent CDCl3
Source File Reference UWVN25812