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

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methoxy-4-nitrobenzyl octyl ester
SpectraBase Compound ID EteLGccavD0
InChI InChI=1S/C24H29NO7/c1-3-4-5-6-7-10-15-31-23(26)19-11-8-9-12-20(19)24(27)32-17-18-13-14-21(25(28)29)22(16-18)30-2/h8-9,11-14,16H,3-7,10,15,17H2,1-2H3
InChIKey MAUKRILGTLHOGK-UHFFFAOYSA-N
Mol Weight 443.5 g/mol
Molecular Formula C24H29NO7
Exact Mass 443.194402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCBifz4Hd2B
Name Phthalic acid, 3-methoxy-4-nitrobenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 443.194402271 u
Formula C24H29NO7
InChI InChI=1S/C24H29NO7/c1-3-4-5-6-7-10-15-31-23(26)19-11-8-9-12-20(19)24(27)32-17-18-13-14-21(25(28)29)22(16-18)30-2/h8-9,11-14,16H,3-7,10,15,17H2,1-2H3
InChIKey MAUKRILGTLHOGK-UHFFFAOYSA-N
Molecular Weight 443.496 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCC1=CC(=C(C=C1)N(=O)=O)OC)(OCCCCCCCC)=O