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Phthalic acid, 2-diethylaminoethyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-diethylaminoethyl undecyl ester
SpectraBase Compound ID HwSLJKRY02n
InChI InChI=1S/C25H41NO4/c1-4-7-8-9-10-11-12-13-16-20-29-24(27)22-17-14-15-18-23(22)25(28)30-21-19-26(5-2)6-3/h14-15,17-18H,4-13,16,19-21H2,1-3H3
InChIKey XTXPEDWGJOTQHR-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C25H41NO4
Exact Mass 419.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GI7uAbbJx9I
Name Phthalic acid, 2-diethylaminoethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 419.303558800 u
Formula C25H41NO4
InChI InChI=1S/C25H41NO4/c1-4-7-8-9-10-11-12-13-16-20-29-24(27)22-17-14-15-18-23(22)25(28)30-21-19-26(5-2)6-3/h14-15,17-18H,4-13,16,19-21H2,1-3H3
InChIKey XTXPEDWGJOTQHR-UHFFFAOYSA-N
Molecular Weight 419.606 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)OCCN(CC)CC)(OCCCCCCCCCCC)=O