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(3R,5S)/(3R,5R)-5-[[N-(3-AMINOPROPYL)-CARBAMOYL]-OXY]-1-ETHYNYL-3-HYDROXY-2-METHYL-1-CYCLOHEXENE

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(3R,5S)/(3R,5R)-5-[[N-(3-AMINOPROPYL)-CARBAMOYL]-OXY]-1-ETHYNYL-3-HYDROXY-2-METHYL-1-CYCLOHEXENE
SpectraBase Compound ID 2VKCiAPluk0
InChI InChI=1S/C13H20N2O3/c1-3-10-7-11(8-12(16)9(10)2)18-13(17)15-6-4-5-14/h1,11-12,16H,4-8,14H2,2H3,(H,15,17)/t11-,12-/m0/s1
InChIKey YLECRYSPWXOPTC-RYUDHWBXSA-N
Mol Weight 252.31 g/mol
Molecular Formula C13H20N2O3
Exact Mass 252.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 72xgQbRYtbi
Name (3R,5S)/(3R,5R)-5-[[N-(3-AMINOPROPYL)-CARBAMOYL]-OXY]-1-ETHYNYL-3-HYDROXY-2-METHYL-1-CYCLOHEXENE
Compound Number 16C/17C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20N2O3
InChI InChI=1S/C13H20N2O3/c1-3-10-7-11(8-12(16)9(10)2)18-13(17)15-6-4-5-14/h1,11-12,16H,4-8,14H2,2H3,(H,15,17)/t11-,12-/m0/s1
InChIKey YLECRYSPWXOPTC-RYUDHWBXSA-N
Literature Reference Author V.GOTOR-FERNANDEZ,M.FERRERO,S.FERNANDEZ,V.GOTOR
Literature Reference Citation J.ORG.CHEM.,64,7504(1999)
Literature Reference DOI 10.1021/jo990813+
Molecular Weight 252.313 g/mol
Sample ID 59476
Solvent CD3OD