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3-OXO-1-AZATRICYCLO-[3.3.1.0(4,6)]-OCTANE-4-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID 1hEGG7tCsWV
InChI InChI=1S/C9H11NO3/c1-13-8(12)9-5-2-3-10(7(5)9)4-6(9)11/h5,7H,2-4H2,1H3/t5-,7+,9-/m0/s1
InChIKey XKGBGHTWBBLQMN-KWPFTWCOSA-N
Mol Weight 181.19 g/mol
Molecular Formula C9H11NO3
Exact Mass 181.073893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ln5I2F4Wuq
Name 3-OXO-1-AZATRICYCLO-[3.3.1.0(4,6)]-OCTANE-4-CARBOXYLIC-ACID-METHYLESTER
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-13-8(12)9-5-2-3-10(7(5)9)4-6(9)11/h5,7H,2-4H2,1H3/t5-,7+,9-/m0/s1
InChIKey XKGBGHTWBBLQMN-KWPFTWCOSA-N
Literature Reference Author C.K.M.CLURE,A.J.KIESSLING,J.S.LINK
Literature Reference Citation ORG.LETTERS,5,3811(2003)
Literature Reference DOI 10.1021/ol035202p
Molecular Weight 181.191 g/mol
Sample ID 33989
Solvent CDCl3:C5D5N=2:3