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1-METHYL-7-HYDROXY-7-(1,4-DICARBOMETHOXY-1-BUTEN-3-INE)-ISOQUINUCLIDENE
SpectraBase Compound ID EuFRg39MiaS
InChI InChI=1S/C16H19NO5/c1-17-10-11-7-8-13(17)16(20,9-11)12(15(19)22-3)5-4-6-14(18)21-2/h5,7-8,11,13,20H,9-10H2,1-3H3/b12-5+/t11-,13+,16-/m1/s1
InChIKey KWNMBUYOAUAIMS-CQNMCRSDSA-N
Mol Weight 305.33 g/mol
Molecular Formula C16H19NO5
Exact Mass 305.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LcVRmkb05YU
Name 1-METHYL-7-HYDROXY-7-(1,4-DICARBOMETHOXY-1-BUTEN-3-INE)-ISOQUINUCLIDENE
CAS Registry Number 120230-24-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19NO5
InChI InChI=1S/C16H19NO5/c1-17-10-11-7-8-13(17)16(20,9-11)12(15(19)22-3)5-4-6-14(18)21-2/h5,7-8,11,13,20H,9-10H2,1-3H3/b12-5+/t11-,13+,16-/m1/s1
InChIKey KWNMBUYOAUAIMS-CQNMCRSDSA-N
Literature Reference Author E.W.BAXTER,D.LABAREE,S.CHAO,P.S.MARIANO
Literature Reference Citation J.ORG.CHEM.,54,2893(1989)
Literature Reference DOI 10.1021/jo00273a024
Molecular Weight 305.331 g/mol
Solvent CDCl3
Source File Reference UWGB1314