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Bis(5-methoxycarbonyl-6-methylthio-2-phenyl-4-pyrimidyl)disulfide
SpectraBase Compound ID 6V7Ena4WTxb
InChI InChI=1S/C26H22N4O4S4/c1-33-25(31)17-21(35-3)27-19(15-11-7-5-8-12-15)29-23(17)37-38-24-18(26(32)34-2)22(36-4)28-20(30-24)16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKey UZIGDOACEAEQRF-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C26H22N4O4S4
Exact Mass 582.05239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Yrhs4BYsVh
Name Bis(5-methoxycarbonyl-6-methylthio-2-phenyl-4-pyrimidyl)disulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N4O4S4
InChI InChI=1S/C26H22N4O4S4/c1-33-25(31)17-21(35-3)27-19(15-11-7-5-8-12-15)29-23(17)37-38-24-18(26(32)34-2)22(36-4)28-20(30-24)16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKey UZIGDOACEAEQRF-UHFFFAOYSA-N
Molecular Weight 582.726 g/mol
SMILES c1(nc(-c2ccccc2)nc(c1C(=O)OC)SC)SSc1nc(-c2ccccc2)nc(c1C(=O)OC)SC
SPLASH splash10-0006-1290020000-2f959e71c63a045e6734
Source of Spectrum H1-34-1579-3
Synonyms Methyl 4-{[5-(methoxycarbonyl)-6-(methylsulfanyl)-2-phenyl-4-pyrimidinyl]disulfanyl}-6-(methylsulfanyl)-2-phenyl-5-pyrimidinecarboxylate
Wiley ID 754752