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Phthalic acid, heptyl 3-methoxy-4-nitrobenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 3-methoxy-4-nitrobenzyl ester
SpectraBase Compound ID BjH0xLJaTao
InChI InChI=1S/C23H27NO7/c1-3-4-5-6-9-14-30-22(25)18-10-7-8-11-19(18)23(26)31-16-17-12-13-20(24(27)28)21(15-17)29-2/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3
InChIKey ZOIFOVHYSWTNSU-UHFFFAOYSA-N
Mol Weight 429.47 g/mol
Molecular Formula C23H27NO7
Exact Mass 429.178752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SqgmVlV8A2
Name Phthalic acid, heptyl 3-methoxy-4-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 429.178752206 u
Formula C23H27NO7
InChI InChI=1S/C23H27NO7/c1-3-4-5-6-9-14-30-22(25)18-10-7-8-11-19(18)23(26)31-16-17-12-13-20(24(27)28)21(15-17)29-2/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3
InChIKey ZOIFOVHYSWTNSU-UHFFFAOYSA-N
Molecular Weight 429.469 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCC1=CC(=C(C=C1)N(=O)=O)OC)(OCCCCCCC)=O