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(E)-2-(4-METHYL-3-PENTENYL)-1-(2-NITRO-1-BUTENYL)-BENZENE
SpectraBase Compound ID 4btROUCkh8
InChI InChI=1S/C16H21NO2/c1-4-16(17(18)19)12-15-10-6-5-9-14(15)11-7-8-13(2)3/h5-6,8-10,12H,4,7,11H2,1-3H3/b16-12+
InChIKey PYZKEQLWLSJQLA-FOWTUZBSSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DXgmdVqx9qL
Name (E)-2-(4-METHYL-3-PENTENYL)-1-(2-NITRO-1-BUTENYL)-BENZENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-4-16(17(18)19)12-15-10-6-5-9-14(15)11-7-8-13(2)3/h5-6,8-10,12H,4,7,11H2,1-3H3/b16-12+
InChIKey PYZKEQLWLSJQLA-FOWTUZBSSA-N
Literature Reference Author S.E.DENMARK,B.S.KESLER,Y.C.MOON
Literature Reference Citation J.ORG.CHEM.,57,4912(1992)
Literature Reference DOI 10.1021/jo00044a029
Molecular Weight 259.348 g/mol
Solvent CDCl3
Source File Reference UWCS2873