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Benzoic acid, 4-[[3-(4-methoxyphenyl)-3-oxopropyl]amino]-, 2-(diethylamino)ethyl ester
SpectraBase Compound ID Dn9XCarewDM
InChI InChI=1S/C23H30N2O4/c1-4-25(5-2)16-17-29-23(27)19-6-10-20(11-7-19)24-15-14-22(26)18-8-12-21(28-3)13-9-18/h6-13,24H,4-5,14-17H2,1-3H3
InChIKey OZWXVURVBSVOIQ-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C23H30N2O4
Exact Mass 398.220557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCQ51JvwEjH
Name Benzoic acid, 4-[[3-(4-methoxyphenyl)-3-oxopropyl]amino]-, 2-(diethylamino)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.220557450 u
Formula C23H30N2O4
InChI InChI=1S/C23H30N2O4/c1-4-25(5-2)16-17-29-23(27)19-6-10-20(11-7-19)24-15-14-22(26)18-8-12-21(28-3)13-9-18/h6-13,24H,4-5,14-17H2,1-3H3
InChIKey OZWXVURVBSVOIQ-UHFFFAOYSA-N
Molecular Weight 398.503 g/mol
SMILES C(C1=CC=C(C=C1)OC)(CCNC1=CC=C(C=C1)C(=O)OCCN(CC)CC)=O