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3,4,5-triethoxy-N-(4-phenoxyphenyl)benzamide
SpectraBase Compound ID JfpR6ogIKCh
InChI InChI=1S/C25H27NO5/c1-4-28-22-16-18(17-23(29-5-2)24(22)30-6-3)25(27)26-19-12-14-21(15-13-19)31-20-10-8-7-9-11-20/h7-17H,4-6H2,1-3H3,(H,26,27)
InChIKey JIGNMNQPBYTASE-UHFFFAOYSA-N
Mol Weight 421.49 g/mol
Molecular Formula C25H27NO5
Exact Mass 421.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4gt5oq9yDwp
Name 3,4,5-Triethoxy-N-(4-phenoxyphenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 421.188922968 u
Formula C25H27NO5
InChI InChI=1S/C25H27NO5/c1-4-28-22-16-18(17-23(29-5-2)24(22)30-6-3)25(27)26-19-12-14-21(15-13-19)31-20-10-8-7-9-11-20/h7-17H,4-6H2,1-3H3,(H,26,27)
InChIKey JIGNMNQPBYTASE-UHFFFAOYSA-N
Molecular Weight 421.493 g/mol
SMILES N(C(C1=CC(=C(OCC)C(=C1)OCC)OCC)=O)C1=CC=C(OC2=CC=CC=C2)C=C1