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Succinic acid, 3,5-dinitrobenzyl 2-methylhex-3-yl ester

View entire compound with spectra: 1 NMR

Succinic acid, 3,5-dinitrobenzyl 2-methylhex-3-yl ester
SpectraBase Compound ID AN5nlbOmyUn
InChI InChI=1S/C18H24N2O8/c1-4-5-16(12(2)3)28-18(22)7-6-17(21)27-11-13-8-14(19(23)24)10-15(9-13)20(25)26/h8-10,12,16H,4-7,11H2,1-3H3
InChIKey PDSDIXGLHWKOMJ-UHFFFAOYSA-N
Mol Weight 396.4 g/mol
Molecular Formula C18H24N2O8
Exact Mass 396.153266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hv3tE6NlO5u
Name Succinic acid, 3,5-dinitrobenzyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.153265733 u
Formula C18H24N2O8
InChI InChI=1S/C18H24N2O8/c1-4-5-16(12(2)3)28-18(22)7-6-17(21)27-11-13-8-14(19(23)24)10-15(9-13)20(25)26/h8-10,12,16H,4-7,11H2,1-3H3
InChIKey PDSDIXGLHWKOMJ-UHFFFAOYSA-N
Molecular Weight 396.396 g/mol
SMILES C(CCC(OCC=1C=C(C=C(N(=O)=O)C1)N(=O)=O)=O)(OC(CCC)C(C)C)=O