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6-[(4-Methoxyphenyldiphenylmethyl)amino]hexanoic acid
SpectraBase Compound ID BQ7GmLpMoxd
InChI InChI=1S/C26H29NO3/c1-30-24-18-16-23(17-19-24)26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)27-20-10-4-9-15-25(28)29/h2-3,5-8,11-14,16-19,27H,4,9-10,15,20H2,1H3,(H,28,29)
InChIKey YYZROKUODOUJKO-UHFFFAOYSA-N
Mol Weight 403.52 g/mol
Molecular Formula C26H29NO3
Exact Mass 403.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jv7oQGSl92a
Name 6-[(4-Methoxyphenyldiphenylmethyl)amino]hexanoic acid
Comments Computed using HOSE algorithm
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Exact Mass 403.214743795 u
Formula C26H29NO3
InChI InChI=1S/C26H29NO3/c1-30-24-18-16-23(17-19-24)26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)27-20-10-4-9-15-25(28)29/h2-3,5-8,11-14,16-19,27H,4,9-10,15,20H2,1H3,(H,28,29)
InChIKey YYZROKUODOUJKO-UHFFFAOYSA-N
Molecular Weight 403.522 g/mol
SMILES C1=CC=CC=C1C(C1=CC=C(C=C1)OC)(C1=CC=CC=C1)NCCCCCC(O)=O