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4,6-Bis[(4-ethoxybenzyl)sulfanyl]-5-nitropyrimidine
SpectraBase Compound ID CDLI4irPHcT
InChI InChI=1S/C22H23N3O4S2/c1-3-28-18-9-5-16(6-10-18)13-30-21-20(25(26)27)22(24-15-23-21)31-14-17-7-11-19(12-8-17)29-4-2/h5-12,15H,3-4,13-14H2,1-2H3
InChIKey PDFVJYFCEIFTOS-UHFFFAOYSA-N
Mol Weight 457.56 g/mol
Molecular Formula C22H23N3O4S2
Exact Mass 457.112999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FLsEj0M0tr
Name 4,6-Bis[(4-ethoxybenzyl)sulfanyl]-5-nitropyrimidine
CAS Registry Number 325957-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N3O4S2
InChI InChI=1S/C22H23N3O4S2/c1-3-28-18-9-5-16(6-10-18)13-30-21-20(25(26)27)22(24-15-23-21)31-14-17-7-11-19(12-8-17)29-4-2/h5-12,15H,3-4,13-14H2,1-2H3
InChIKey PDFVJYFCEIFTOS-UHFFFAOYSA-N
Molecular Weight 457.563 g/mol
SMILES c1(c(c(ncn1)SCc1ccc(cc1)OCC)N(=O)=O)SCc1ccc(cc1)OCC
SPLASH splash10-052r-1900000000-8097a9bbfd36eaa09b28
Synonyms 4,6-bis[(4-ethoxybenzyl)thio]-5-nitro-pyrimidine 4,6-bis[(4-ethoxyphenyl)methylsulfanyl]-5-nitro-pyrimidine 4,6-bis[(4-ethoxyphenyl)methylthio]-5-nitropyrimidine
Wiley ID 1469522