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Phthalic acid, heptyl 3-methyl-2-nitrobenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 3-methyl-2-nitrobenzyl ester
SpectraBase Compound ID 7sO4K2s06lu
InChI InChI=1S/C23H27NO6/c1-3-4-5-6-9-15-29-22(25)19-13-7-8-14-20(19)23(26)30-16-18-12-10-11-17(2)21(18)24(27)28/h7-8,10-14H,3-6,9,15-16H2,1-2H3
InChIKey ZMEOEKJDGURYNS-UHFFFAOYSA-N
Mol Weight 413.47 g/mol
Molecular Formula C23H27NO6
Exact Mass 413.183838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjIGqheTrDL
Name Phthalic acid, heptyl 3-methyl-2-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 413.183837587 u
Formula C23H27NO6
InChI InChI=1S/C23H27NO6/c1-3-4-5-6-9-15-29-22(25)19-13-7-8-14-20(19)23(26)30-16-18-12-10-11-17(2)21(18)24(27)28/h7-8,10-14H,3-6,9,15-16H2,1-2H3
InChIKey ZMEOEKJDGURYNS-UHFFFAOYSA-N
Molecular Weight 413.470 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC=1C=CC=C(C)C1N(=O)=O)C(=O)OCCCCCCC