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Phthalic acid, 2-ethylhexyl 2-nitrophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-ethylhexyl 2-nitrophenyl ester
SpectraBase Compound ID F3dM6ganpdv
InChI InChI=1S/C22H25NO6/c1-3-5-10-16(4-2)15-28-21(24)17-11-6-7-12-18(17)22(25)29-20-14-9-8-13-19(20)23(26)27/h6-9,11-14,16H,3-5,10,15H2,1-2H3
InChIKey SITIBEUAJWWVHO-UHFFFAOYSA-N
Mol Weight 399.44 g/mol
Molecular Formula C22H25NO6
Exact Mass 399.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74VIwMjqZVO
Name Phthalic acid, 2-ethylhexyl 2-nitrophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 399.168187523 u
Formula C22H25NO6
InChI InChI=1S/C22H25NO6/c1-3-5-10-16(4-2)15-28-21(24)17-11-6-7-12-18(17)22(25)29-20-14-9-8-13-19(20)23(26)27/h6-9,11-14,16H,3-5,10,15H2,1-2H3
InChIKey SITIBEUAJWWVHO-UHFFFAOYSA-N
Molecular Weight 399.443 g/mol
SMILES C1=CC=C(C(=C1)C(OC1=CC=CC=C1N(=O)=O)=O)C(OCC(CC)CCCC)=O