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Phthalic acid, heptyl 2-(2-nitrophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 2-(2-nitrophenyl)ethyl ester
SpectraBase Compound ID KXJ9Oc1DIR6
InChI InChI=1S/C23H27NO6/c1-2-3-4-5-10-16-29-22(25)19-12-7-8-13-20(19)23(26)30-17-15-18-11-6-9-14-21(18)24(27)28/h6-9,11-14H,2-5,10,15-17H2,1H3
InChIKey ORMVQFLBOKRHIW-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 JnJNnlfTmN5
Name Phthalic acid, heptyl 2-(2-nitrophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 413.183837587 u
Formula C23H27NO6
InChI InChI=1S/C23H27NO6/c1-2-3-4-5-10-16-29-22(25)19-12-7-8-13-20(19)23(26)30-17-15-18-11-6-9-14-21(18)24(27)28/h6-9,11-14H,2-5,10,15-17H2,1H3
InChIKey ORMVQFLBOKRHIW-UHFFFAOYSA-N
Molecular Weight 413.470 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC=C1N(=O)=O)=O)(OCCCCCCC)=O