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1-[6-(Hydroxy-di-p-tolylmethyl)-pyridin-2-yl]-2-phenylethanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-[6-(Hydroxy-di-p-tolylmethyl)-pyridin-2-yl]-2-phenylethanone
SpectraBase Compound ID HLhlgZ34JsE
InChI InChI=1S/C28H25NO2/c1-20-11-15-23(16-12-20)28(31,24-17-13-21(2)14-18-24)27-10-6-9-25(29-27)26(30)19-22-7-4-3-5-8-22/h3-18,31H,19H2,1-2H3
InChIKey WSHCBIHCNTUGGH-UHFFFAOYSA-N
Mol Weight 407.51 g/mol
Molecular Formula C28H25NO2
Exact Mass 407.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76VEwI6gMYu
Name 1-[6-(Hydroxy-di-p-tolylmethyl)-pyridin-2-yl]-2-phenylethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.188529047 u
Formula C28H25NO2
InChI InChI=1S/C28H25NO2/c1-20-11-15-23(16-12-20)28(31,24-17-13-21(2)14-18-24)27-10-6-9-25(29-27)26(30)19-22-7-4-3-5-8-22/h3-18,31H,19H2,1-2H3
InChIKey WSHCBIHCNTUGGH-UHFFFAOYSA-N
Molecular Weight 407.513 g/mol
SMILES C(CC=1C=CC=CC1)(C=1C=CC=C(N1)C(C=1C=CC(=CC1)C)(C=1C=CC(=CC1)C)O)=O