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N,N-bis[3-(4'-Carbamoylmethylphenoxy)-2-hydroxypropyl]isopropylamine
SpectraBase Compound ID 8w8zR4RXK9g
InChI InChI=1S/C25H35N3O6/c1-28(2)19(13-20(29)15-33-22-7-3-17(4-8-22)11-24(26)31)14-21(30)16-34-23-9-5-18(6-10-23)12-25(27)32/h3-10,19-21,29-30H,11-16H2,1-2H3,(H2,26,31)(H2,27,32)
InChIKey WTWBBPKNBIEQIU-UHFFFAOYSA-N
Mol Weight 473.6 g/mol
Molecular Formula C25H35N3O6
Exact Mass 473.252586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDIZRT09RSe
Name N,N-bis[3-(4'-Carbamoylmethylphenoxy)-2-hydroxypropyl]isopropylamine
Comments Computed using HOSE algorithm
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Exact Mass 473.252585853 u
Formula C25H35N3O6
InChI InChI=1S/C25H35N3O6/c1-28(2)19(13-20(29)15-33-22-7-3-17(4-8-22)11-24(26)31)14-21(30)16-34-23-9-5-18(6-10-23)12-25(27)32/h3-10,19-21,29-30H,11-16H2,1-2H3,(H2,26,31)(H2,27,32)
InChIKey WTWBBPKNBIEQIU-UHFFFAOYSA-N
Molecular Weight 473.570 g/mol
SMILES C(O)(CC(CC(O)COC=1C=CC(=CC1)CC(=O)N)N(C)C)COC=1C=CC(=CC1)CC(=O)N