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METHYL-(2E,7Z)-13-HYDROXY-14-NITRO-TRIDECA-2,7-DIENOATE;MAJOR-ISOMER
SpectraBase Compound ID CmKkMKqSbzy
InChI InChI=1S/C16H27NO5/c1-14(17(20)21)15(18)12-10-8-6-4-3-5-7-9-11-13-16(19)22-2/h3-4,11,13-15,18H,5-10,12H2,1-2H3/b4-3-,13-11+
InChIKey ARVBZRPVPQBHIH-KBCNIFDOSA-N
Mol Weight 313.39 g/mol
Molecular Formula C16H27NO5
Exact Mass 313.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rXfeaHVcsZ
Name METHYL-(2E,7Z)-13-HYDROXY-14-NITRO-TRIDECA-2,7-DIENOATE;MINOR-ISOMER
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H27NO5
InChI InChI=1S/C16H27NO5/c1-14(17(20)21)15(18)12-10-8-6-4-3-5-7-9-11-13-16(19)22-2/h3-4,11,13-15,18H,5-10,12H2,1-2H3/b4-3-,13-11+
InChIKey ARVBZRPVPQBHIH-KBCNIFDOSA-N
Literature Reference Author S.E.DENMARK,L.GOMEZ
Literature Reference Citation J.ORG.CHEM.,68,8015(2003)
Literature Reference DOI 10.1021/jo034853w
Molecular Weight 313.394 g/mol
Solvent CDCl3
Source File Reference UWVN20760