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Phthalic acid, 2-diethylaminoethyl isohexyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Phthalic acid, 2-diethylaminoethyl isohexyl ester
SpectraBase Compound ID A7pPIHpQwRR
InChI InChI=1S/C20H31NO4/c1-5-21(6-2)13-15-25-20(23)18-12-8-7-11-17(18)19(22)24-14-9-10-16(3)4/h7-8,11-12,16H,5-6,9-10,13-15H2,1-4H3
InChIKey RTZFZMFXTLFCLI-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Erhr38MeKWY
Name Phthalic acid, 2-diethylaminoethyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.225308478 u
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-5-21(6-2)13-15-25-20(23)18-12-8-7-11-17(18)19(22)24-14-9-10-16(3)4/h7-8,11-12,16H,5-6,9-10,13-15H2,1-4H3
InChIKey RTZFZMFXTLFCLI-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES CC(C)CCCOC(C1=C(C=CC=C1)C(=O)OCCN(CC)CC)=O