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5-Nitro-2-(4'-pentyl[1,1'-biphenyl]-4-yl)pyrimidine
SpectraBase Compound ID 8CeCc7Wy7KU
InChI InChI=1S/C21H21N3O2/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)21-22-14-20(15-23-21)24(25)26/h6-15H,2-5H2,1H3
InChIKey ZUWGHKNHTXADEK-UHFFFAOYSA-N
Mol Weight 347.42 g/mol
Molecular Formula C21H21N3O2
Exact Mass 347.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSqQ0raN0oy
Name 5-Nitro-2-(4'-pentyl[1,1'-biphenyl]-4-yl)pyrimidine
Alternate Name(s) 2-[4-(4-amylphenyl)phenyl]-5-nitro-pyrimidine 5-Nitro-2-[4-(4-pentylphenyl)phenyl]pyrimidine Pyrimidine, 5-nitro-2-(4'-pentylbiphen-4-yl)-
CAS Registry Number 313505-78-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O2
InChI InChI=1S/C21H21N3O2/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)21-22-14-20(15-23-21)24(25)26/h6-15H,2-5H2,1H3
InChIKey ZUWGHKNHTXADEK-UHFFFAOYSA-N
Molecular Weight 347.418 g/mol
SMILES CCCCCc1ccc(-c2ccc(-c3ncc(N(=O)=O)cn3)cc2)cc1
SPLASH splash10-0006-3794000000-6216449389b0873e9d66
Source of Spectrum AD-0-2532-0
Wiley ID 1420203