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Phthalic acid, 2-(2-nitrophenyl)ethyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(2-nitrophenyl)ethyl octyl ester
SpectraBase Compound ID JdPDk7n93PY
InChI InChI=1S/C24H29NO6/c1-2-3-4-5-6-11-17-30-23(26)20-13-8-9-14-21(20)24(27)31-18-16-19-12-7-10-15-22(19)25(28)29/h7-10,12-15H,2-6,11,16-18H2,1H3
InChIKey BLMDZKJOWYNUFM-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C24H29NO6
Exact Mass 427.199488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Z1Zdv0iaB8
Name Phthalic acid, 2-(2-nitrophenyl)ethyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.199487652 u
Formula C24H29NO6
InChI InChI=1S/C24H29NO6/c1-2-3-4-5-6-11-17-30-23(26)20-13-8-9-14-21(20)24(27)31-18-16-19-12-7-10-15-22(19)25(28)29/h7-10,12-15H,2-6,11,16-18H2,1H3
InChIKey BLMDZKJOWYNUFM-UHFFFAOYSA-N
Molecular Weight 427.497 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC=C1N(=O)=O)=O)(OCCCCCCCC)=O