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1-(1,4,5-TRIHYDROXY-3-ISOCYANOCYCLO-PENTEN-2-ENYL)-ETHANOL
SpectraBase Compound ID 1xEusa4CiZz
InChI InChI=1S/C8H12NO4/c1-4(10)8(13)3-5(9-2)6(11)7(8)12/h2-4,6-7,10-13H,1H3/q+1
InChIKey KEEMPIRKJZPPNU-UHFFFAOYSA-N
Mol Weight 186.19 g/mol
Molecular Formula C8H12NO4
Exact Mass 186.076633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6d0ukoe7jdc
Name 1-(1,4,5-TRIHYDROXY-3-ISOCYANOCYCLO-PENTEN-2-ENYL)-ETHANOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12NO4
InChI InChI=1S/C8H12NO4/c1-4(10)8(13)3-5(9-2)6(11)7(8)12/h2-4,6-7,10-13H,1H3/q+1
InChIKey KEEMPIRKJZPPNU-UHFFFAOYSA-N
Literature Reference Author C.H.LEE,H.KOSHINO,M.C.CHUNG,H.J.LEE,J.K.HONG,J.S.YOO,Y.H.KHO
Literature Reference Citation J.ANTIBIOTICS,50,474(1997)
Literature Reference DOI 10.7164/antibiotics.50.474
Molecular Weight 186.188 g/mol
Solvent CD3OD