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3-(1-METHYL-PYRIDIN-3-YL)-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA-[D]-ISOXAZOLE-IODIDE
SpectraBase Compound ID 67PwqDlyDPf
InChI InChI=1S/C12H15N2O.HI/c1-14-7-3-4-9(8-14)12-10-5-2-6-11(10)15-13-12;/h3-4,7-8,10-11H,2,5-6H2,1H3;1H/q+1;/p-1
InChIKey RDNTVUZQPBTXRK-UHFFFAOYSA-M
Mol Weight 330.17 g/mol
Molecular Formula C12H15IN2O
Exact Mass 330.022908 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcxlNKm9mIU
Name 3-(1-METHYL-PYRIDIN-3-YL)-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA-[D]-ISOXAZOLE-IODIDE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15IN2O
InChI InChI=1S/C12H15N2O.HI/c1-14-7-3-4-9(8-14)12-10-5-2-6-11(10)15-13-12;/h3-4,7-8,10-11H,2,5-6H2,1H3;1H/q+1;/p-1
InChIKey RDNTVUZQPBTXRK-UHFFFAOYSA-M
Literature Reference Author M.AHN,J.M.PARK,I.Y.C.LEE,M.H.JUNG
Literature Reference Citation J.HETCYCL.CHEM.,40,957(2003)
Literature Reference DOI 10.1002/jhet.5570400602
Molecular Weight 330.168 g/mol
Solvent DMSO-D6
Source File Reference UWMS22878