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(2R*,3R*)-1,3-Diethyl-4,6-dioxo-2-thioxo-5-[2-(triphenylphosphonio)-1,2-bis(tert-butoxycarbonyl)ethyl]tetrahydropyrimidin-5-ide

View entire compound with spectra: 1 MS (GC)

(2R*,3R*)-1,3-Diethyl-4,6-dioxo-2-thioxo-5-[2-(triphenylphosphonio)-1,2-bis(tert-butoxycarbonyl)ethyl]tetrahydropyrimidin-5-ide
SpectraBase Compound ID GlW9RH8TyoB
InChI InChI=1S/C38H45N2O6PS/c1-9-39-32(41)30(33(42)40(10-2)36(39)48)29(34(43)45-37(3,4)5)31(35(44)46-38(6,7)8)47(26-20-14-11-15-21-26,27-22-16-12-17-23-27)28-24-18-13-19-25-28/h11-25,29,31H,9-10H2,1-8H3/t29-,31+/m0/s1
InChIKey AVBRRHWFUHMRKG-IGYGKHONSA-N
Mol Weight 688.8 g/mol
Molecular Formula C38H45N2O6PS
Exact Mass 688.273595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhxSIW5SxeU
Name (2R*,3R*)-1,3-Diethyl-4,6-dioxo-2-thioxo-5-[2-(triphenylphosphonio)-1,2-bis(tert-butoxycarbonyl)ethyl]tetrahydropyrimidin-5-ide
Alternate Name(s) 5-((2R,3R)-1,4-di-tert-butoxy-1,4-dioxo-3-(triphenylphosphonio)butan-2-yl)-1,3-diethyl-4,6-dioxo-2-thioxohexahydropyrimidin-5-ide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H45N2O6PS
InChI InChI=1S/C38H45N2O6PS/c1-9-39-32(41)30(33(42)40(10-2)36(39)48)29(34(43)45-37(3,4)5)31(35(44)46-38(6,7)8)47(26-20-14-11-15-21-26,27-22-16-12-17-23-27)28-24-18-13-19-25-28/h11-25,29,31H,9-10H2,1-8H3/t29-,31+/m0/s1
InChIKey AVBRRHWFUHMRKG-IGYGKHONSA-N
Literature Reference DOI 10.1002/hc.20601
Molecular Weight 688.820 g/mol
SMILES C1([C-](C(=O)N(CC)C(=S)N1CC)[C@](C(=O)OC(C)(C)C)([C@@]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)(C(OC(C)(C)C)=O)[H])[H])=O
SPLASH splash10-03e9-2970323000-ab10adec8112e50c5f90
Source of Spectrum HAC-21-234-9c
Wiley ID 1776073