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1,4-Dibenzyl-3-(2'-thiopyridyl)-6-(1''-(hydroxymethyl)-3''-(hydroxypropyl))-2,5-piperazinedione

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1,4-Dibenzyl-3-(2'-thiopyridyl)-6-(1''-(hydroxymethyl)-3''-(hydroxypropyl))-2,5-piperazinedione
SpectraBase Compound ID JM8oFPlfvR
InChI InChI=1S/C27H29N3O4S/c31-16-14-22(19-32)24-25(33)30(18-21-11-5-2-6-12-21)27(35-23-13-7-8-15-28-23)26(34)29(24)17-20-9-3-1-4-10-20/h1-13,15,22,24,27,31-32H,14,16-19H2
InChIKey SPIWCTBYGFIUMS-UHFFFAOYSA-N
Mol Weight 491.61 g/mol
Molecular Formula C27H29N3O4S
Exact Mass 491.187878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23EeUJZ9QcP
Name 1,4-Dibenzyl-3-(2-thio-pyridyl)-6-(1-hydroxymethyl-3-hydroxypropyl)-2,5-piperazinedione
CAS Registry Number 95782-30-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H29N3O4S
InChI InChI=1S/C27H29N3O4S/c31-16-14-22(19-32)24-25(33)30(18-21-11-5-2-6-12-21)27(35-23-13-7-8-15-28-23)26(34)29(24)17-20-9-3-1-4-10-20/h1-13,15,22,24,27,31-32H,14,16-19H2
InChIKey SPIWCTBYGFIUMS-UHFFFAOYSA-N
Literature Reference R.M. Williams, R.W. Armstrong, J.S.Dung, J. Am. Chem. Soc. 107, 3253 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3