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Phthalic acid, 2-(4-nitrophenoxy)ethyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-nitrophenoxy)ethyl octyl ester
SpectraBase Compound ID J8OFYmS7I6d
InChI InChI=1S/C24H29NO7/c1-2-3-4-5-6-9-16-31-23(26)21-10-7-8-11-22(21)24(27)32-18-17-30-20-14-12-19(13-15-20)25(28)29/h7-8,10-15H,2-6,9,16-18H2,1H3
InChIKey HXDGHFFSWHYOMD-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 IuaUhyGz5X2
Name Phthalic acid, 2-(4-nitrophenoxy)ethyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 443.194402271 u
Formula C24H29NO7
InChI InChI=1S/C24H29NO7/c1-2-3-4-5-6-9-16-31-23(26)21-10-7-8-11-22(21)24(27)32-18-17-30-20-14-12-19(13-15-20)25(28)29/h7-8,10-15H,2-6,9,16-18H2,1H3
InChIKey HXDGHFFSWHYOMD-UHFFFAOYSA-N
Molecular Weight 443.496 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCCOC1=CC=C(C=C1)N(=O)=O)C(=O)OCCCCCCCC