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METHYL-(E)-6-HYDROXY-7-NITRO-2-HEXENOATE
SpectraBase Compound ID KzQikCpaKAH
InChI InChI=1S/C18H28N2O10/c1-13(19(23)24)15(9-5-7-11-17(21)27-3)29-30-16(14(2)20(25)26)10-6-8-12-18(22)28-4/h7-8,11-16H,5-6,9-10H2,1-4H3/b11-7+,12-8+
InChIKey NTAIKKGIJBHWSE-MKICQXMISA-N
Mol Weight 432.43 g/mol
Molecular Formula C18H28N2O10
Exact Mass 432.174395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dj10SLMKrZD
Name METHYL-(E)-6-HYDROXY-7-NITRO-2-HEXENOATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28N2O10
InChI InChI=1S/C18H28N2O10/c1-13(19(23)24)15(9-5-7-11-17(21)27-3)29-30-16(14(2)20(25)26)10-6-8-12-18(22)28-4/h7-8,11-16H,5-6,9-10H2,1-4H3/b11-7+,12-8+
InChIKey NTAIKKGIJBHWSE-MKICQXMISA-N
Literature Reference Author S.E.DENMARK,C.B.W.SENANAYAKE
Literature Reference Citation J.ORG.CHEM.,58,1853(1993)
Literature Reference DOI 10.1021/jo00059a043
Molecular Weight 432.428 g/mol
Solvent CDCl3
Source File Reference UWCS22410