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3,3'-Bis[6-(3-chlorophenyl)-4-pyrimidinyl]biphenyl
SpectraBase Compound ID E5zt15seBk6
InChI InChI=1S/C32H20Cl2N4/c33-27-11-3-9-25(15-27)31-17-29(35-19-37-31)23-7-1-5-21(13-23)22-6-2-8-24(14-22)30-18-32(38-20-36-30)26-10-4-12-28(34)16-26/h1-20H
InChIKey YKSMAFJWRWTFTO-UHFFFAOYSA-N
Mol Weight 531.4 g/mol
Molecular Formula C32H20Cl2N4
Exact Mass 530.106502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3j6elPS6kPY
Name 3,3'-Bis[6-(3-chlorophenyl)-4-pyrimidinyl]biphenyl
Alternate Name(s) 3,3'-bis(6-(3-chlorophenyl)pyrimidin-4-yl)-1,1'-biphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H20Cl2N4
InChI InChI=1S/C32H20Cl2N4/c33-27-11-3-9-25(15-27)31-17-29(35-19-37-31)23-7-1-5-21(13-23)22-6-2-8-24(14-22)30-18-32(38-20-36-30)26-10-4-12-28(34)16-26/h1-20H
InChIKey YKSMAFJWRWTFTO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19801130817
Molecular Weight 531.446 g/mol
SMILES c1cc(cc(c1)Cl)-c1ncnc(c1)-c1cc(ccc1)-c1cccc(c1)-c1cc(ncn1)-c1cccc(c1)Cl
SPLASH splash10-001i-0000190000-4ca3994cbd96b104365b
Source of Spectrum K-113-2745-5b
Wiley ID 1794406