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(Z)-non-3-Enyl 3,5-dinitrobenzoate
SpectraBase Compound ID oMFpbI0NBy
InChI InChI=1S/C16H20N2O6/c1-2-3-4-5-6-7-8-9-24-16(19)13-10-14(17(20)21)12-15(11-13)18(22)23/h6-7,10-12H,2-5,8-9H2,1H3/b7-6-
InChIKey NGPMTKXASHVMHN-SREVYHEPSA-N
Mol Weight 336.34 g/mol
Molecular Formula C16H20N2O6
Exact Mass 336.132136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DUXXNrpe7ik
Name (Z)-non-3-Enyl 3,5-dinitrobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 336.132136366 u
Formula C16H20N2O6
InChI InChI=1S/C16H20N2O6/c1-2-3-4-5-6-7-8-9-24-16(19)13-10-14(17(20)21)12-15(11-13)18(22)23/h6-7,10-12H,2-5,8-9H2,1H3/b7-6-
InChIKey NGPMTKXASHVMHN-SREVYHEPSA-N
Molecular Weight 336.344 g/mol
SMILES C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCC\C=C/CCCCC