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Diethanolamine, o,o',N-tribenzoyl-
SpectraBase Compound ID LYgMfE54T5c
InChI InChI=1S/C25H23NO5/c27-23(20-10-4-1-5-11-20)26(16-18-30-24(28)21-12-6-2-7-13-21)17-19-31-25(29)22-14-8-3-9-15-22/h1-15H,16-19H2
InChIKey JDRGIXZFDKMSDR-UHFFFAOYSA-N
Mol Weight 417.46 g/mol
Molecular Formula C25H23NO5
Exact Mass 417.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DMGT36cKSJW
Name Diethanolamine, o,o',N-tribenzoyl-
Comments Computed using HOSE algorithm
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Exact Mass 417.157622840 u
Formula C25H23NO5
InChI InChI=1S/C25H23NO5/c27-23(20-10-4-1-5-11-20)26(16-18-30-24(28)21-12-6-2-7-13-21)17-19-31-25(29)22-14-8-3-9-15-22/h1-15H,16-19H2
InChIKey JDRGIXZFDKMSDR-UHFFFAOYSA-N
Molecular Weight 417.461 g/mol
SMILES C(N(CCOC(=O)C1=CC=CC=C1)CCOC(=O)C1=CC=CC=C1)(=O)C1=CC=CC=C1