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Glutaric acid, hexyl 3-methyl-4-nitrobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hexyl 3-methyl-4-nitrobenzyl ester
SpectraBase Compound ID 3B0B6X4W7h7
InChI InChI=1S/C19H27NO6/c1-3-4-5-6-12-25-18(21)8-7-9-19(22)26-14-16-10-11-17(20(23)24)15(2)13-16/h10-11,13H,3-9,12,14H2,1-2H3
InChIKey SYUKQJJHSJZNCC-UHFFFAOYSA-N
Mol Weight 365.43 g/mol
Molecular Formula C19H27NO6
Exact Mass 365.183838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EclJQXL1uok
Name Glutaric acid, hexyl 3-methyl-4-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.183837587 u
Formula C19H27NO6
InChI InChI=1S/C19H27NO6/c1-3-4-5-6-12-25-18(21)8-7-9-19(22)26-14-16-10-11-17(20(23)24)15(2)13-16/h10-11,13H,3-9,12,14H2,1-2H3
InChIKey SYUKQJJHSJZNCC-UHFFFAOYSA-N
Molecular Weight 365.426 g/mol
SMILES C(OCC1=CC=C(C(=C1)C)N(=O)=O)(=O)CCCC(OCCCCCC)=O