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

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 2-(4-nitrophenoxy)ethyl ester
SpectraBase Compound ID 4zHfTqjNRUN
InChI InChI=1S/C22H25NO7/c1-2-3-4-7-14-29-21(24)19-8-5-6-9-20(19)22(25)30-16-15-28-18-12-10-17(11-13-18)23(26)27/h5-6,8-13H,2-4,7,14-16H2,1H3
InChIKey CXNNGUNRENCHQQ-UHFFFAOYSA-N
Mol Weight 415.44 g/mol
Molecular Formula C22H25NO7
Exact Mass 415.163102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXKCEe2rApP
Name Phthalic acid, hexyl 2-(4-nitrophenoxy)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 415.163102142 u
Formula C22H25NO7
InChI InChI=1S/C22H25NO7/c1-2-3-4-7-14-29-21(24)19-8-5-6-9-20(19)22(25)30-16-15-28-18-12-10-17(11-13-18)23(26)27/h5-6,8-13H,2-4,7,14-16H2,1H3
InChIKey CXNNGUNRENCHQQ-UHFFFAOYSA-N
Molecular Weight 415.442 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCCOC1=CC=C(C=C1)N(=O)=O)C(=O)OCCCCCC