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Succinic acid, heptyl 3-methyl-4-nitrobenzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, heptyl 3-methyl-4-nitrobenzyl ester
SpectraBase Compound ID Erl13wXKi6j
InChI InChI=1S/C19H27NO6/c1-3-4-5-6-7-12-25-18(21)10-11-19(22)26-14-16-8-9-17(20(23)24)15(2)13-16/h8-9,13H,3-7,10-12,14H2,1-2H3
InChIKey SMLZKOYFKZZIFL-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 rWTcCs6gYb
Name Succinic acid, heptyl 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/c1-3-4-5-6-7-12-25-18(21)10-11-19(22)26-14-16-8-9-17(20(23)24)15(2)13-16/h8-9,13H,3-7,10-12,14H2,1-2H3
InChIKey SMLZKOYFKZZIFL-UHFFFAOYSA-N
Molecular Weight 365.426 g/mol
SMILES C(CCC(OCC1=CC=C(C(=C1)C)N(=O)=O)=O)(OCCCCCCC)=O