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4(3H)-Pyrimidinethione, 3,3'-(1,4-butanediyl)bis[2,6-diphenyl-
SpectraBase Compound ID Ip7z1CcKwVM
InChI InChI=1S/C36H30N4S2/c41-33-25-31(27-15-5-1-6-16-27)37-35(29-19-9-3-10-20-29)39(33)23-13-14-24-40-34(42)26-32(28-17-7-2-8-18-28)38-36(40)30-21-11-4-12-22-30/h1-12,15-22,25-26H,13-14,23-24H2
InChIKey ZFZBHEZDVURQKX-UHFFFAOYSA-N
Mol Weight 582.8 g/mol
Molecular Formula C36H30N4S2
Exact Mass 582.191189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Q6YoflN2tK
Name 4(3H)-Pyrimidinethione, 3,3'-(1,4-butanediyl)bis[2,6-diphenyl-
CAS Registry Number 113848-47-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H30N4S2
InChI InChI=1S/C36H30N4S2/c41-33-25-31(27-15-5-1-6-16-27)37-35(29-19-9-3-10-20-29)39(33)23-13-14-24-40-34(42)26-32(28-17-7-2-8-18-28)38-36(40)30-21-11-4-12-22-30/h1-12,15-22,25-26H,13-14,23-24H2
InChIKey ZFZBHEZDVURQKX-UHFFFAOYSA-N
Molecular Weight 582.784 g/mol
SMILES C1(=NC(=CC(N1CCCCN1C(=NC(=CC1=S)c1ccccc1)c1ccccc1)=S)c1ccccc1)c1ccccc1
SPLASH splash10-03e9-0090070000-100bb3c977c3397c9793
Source of Spectrum AH-118-493-3
Synonyms 1,4-bis(2,4-diphenyl-6-thioxo-6H-pyrimid-1-yl)butane 3-[4-(2,4-diphenyl-6-thioxo-1(6H)-pyrimidinyl)butyl]-2,6-diphenyl-4(3H)-pyrimidinethione
Wiley ID 1408687