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[(3-(E)-4-NITRO-3-BUTENYL]-BENZENE
SpectraBase Compound ID 4yyYDrtK8l
InChI InChI=1S/C10H11NO2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9H,4,8H2/b9-5+
InChIKey MSEZMFQAIYVMIC-WEVVVXLNSA-N
Mol Weight 177.2 g/mol
Molecular Formula C10H11NO2
Exact Mass 177.078979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6cFt04KBEmG
Name [(3-(E)-4-NITRO-3-BUTENYL]-BENZENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H11NO2
InChI InChI=1S/C10H11NO2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9H,4,8H2/b9-5+
InChIKey MSEZMFQAIYVMIC-WEVVVXLNSA-N
Literature Reference Author L.B.TULLOCH,V.P.MARTINI,J.IULEK,J.K.HUGGAN,J.H.LEE,C.L.GIBSO N,T.K.SMITH,C.J.SUCK
Literature Reference Citation J.MED.CHEM.,53,221(2010)
Literature Reference DOI 10.1021/jm901059x
Molecular Weight 177.203 g/mol
Solvent CDCl3
Source File Reference UWMZ45179