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Ethyl 3-[N-benzyl-N-(3-hydroxypropyl)amino]-3-(4-methoxyphenyl)propanoate
SpectraBase Compound ID FtkmYoMbbBJ
InChI InChI=1S/C22H29NO4/c1-3-27-22(25)16-21(19-10-12-20(26-2)13-11-19)23(14-7-15-24)17-18-8-5-4-6-9-18/h4-6,8-13,21,24H,3,7,14-17H2,1-2H3
InChIKey PKNIZTUURSNWDS-UHFFFAOYSA-N
Mol Weight 371.48 g/mol
Molecular Formula C22H29NO4
Exact Mass 371.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GoTKdRZRGFs
Name Ethyl 3-[N-benzyl-N-(3-hydroxypropyl)amino]-3-(4-methoxyphenyl)propanoate
Comments Computed using HOSE algorithm
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Exact Mass 371.209658414 u
Formula C22H29NO4
InChI InChI=1S/C22H29NO4/c1-3-27-22(25)16-21(19-10-12-20(26-2)13-11-19)23(14-7-15-24)17-18-8-5-4-6-9-18/h4-6,8-13,21,24H,3,7,14-17H2,1-2H3
InChIKey PKNIZTUURSNWDS-UHFFFAOYSA-N
Molecular Weight 371.477 g/mol
SMILES C(CC(C=1C=CC(=CC1)OC)N(CCCO)CC=1C=CC=CC1)(=O)OCC