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

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 3-methoxy-4-nitrobenzyl ester
SpectraBase Compound ID 3S2jiRUKY85
InChI InChI=1S/C26H33NO7/c1-3-4-5-6-7-8-9-12-17-33-25(28)21-13-10-11-14-22(21)26(29)34-19-20-15-16-23(27(30)31)24(18-20)32-2/h10-11,13-16,18H,3-9,12,17,19H2,1-2H3
InChIKey XTMSPELOWAZWBC-UHFFFAOYSA-N
Mol Weight 471.6 g/mol
Molecular Formula C26H33NO7
Exact Mass 471.225702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXKiZljUGa1
Name Phthalic acid, decyl 3-methoxy-4-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 471.225702400 u
Formula C26H33NO7
InChI InChI=1S/C26H33NO7/c1-3-4-5-6-7-8-9-12-17-33-25(28)21-13-10-11-14-22(21)26(29)34-19-20-15-16-23(27(30)31)24(18-20)32-2/h10-11,13-16,18H,3-9,12,17,19H2,1-2H3
InChIKey XTMSPELOWAZWBC-UHFFFAOYSA-N
Molecular Weight 471.550 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCC1=CC(=C(C=C1)N(=O)=O)OC)(OCCCCCCCCCC)=O