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1-(1-Mercaptomethyl-1-methoxycarbonyl-ethyl)-3,5-diphenyl-pyrimidine

View entire compound with spectra: 1 NMR

1-(1-Mercaptomethyl-1-methoxycarbonyl-ethyl)-3,5-diphenyl-pyrimidine
SpectraBase Compound ID KTaRf1kwD0Z
InChI InChI=1S/C21H20N2O2S/c1-21(14-26,20(24)25-2)19-22-17(15-9-5-3-6-10-15)13-18(23-19)16-11-7-4-8-12-16/h3-13,26H,14H2,1-2H3
InChIKey IUONJXXDUFUDAT-UHFFFAOYSA-N
Mol Weight 364.46 g/mol
Molecular Formula C21H20N2O2S
Exact Mass 364.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IxAeYZzDRF0
Name 1-(1-Mercaptomethyl-1-methoxycarbonyl-ethyl)-3,5-diphenyl-pyrimidine
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H20N2O2S
InChI InChI=1S/C21H20N2O2S/c1-21(14-26,20(24)25-2)19-22-17(15-9-5-3-6-10-15)13-18(23-19)16-11-7-4-8-12-16/h3-13,26H,14H2,1-2H3
InChIKey IUONJXXDUFUDAT-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference T. Nishio, M. Fujisawa, Y. Omote, J. Chem. Soc. Perkin I 2523 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3