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1,1'-(Biphenyl-4,4'-diyl)bis(3,4-diacetyl-5-methyl-1H-pyrazole)
SpectraBase Compound ID 5uf9WInerca
InChI InChI=1S/C28H26N4O4/c1-15-25(17(3)33)27(19(5)35)29-31(15)23-11-7-21(8-12-23)22-9-13-24(14-10-22)32-16(2)26(18(4)34)28(30-32)20(6)36/h7-14H,1-6H3
InChIKey FXHDJUVBJLUFEF-UHFFFAOYSA-N
Mol Weight 482.54 g/mol
Molecular Formula C28H26N4O4
Exact Mass 482.195405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ucP6vcWNcd
Name 1,1'-(Biphenyl-4,4'-diyl)bis(3,4-diacetyl-5-methyl-1H-pyrazole)
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26N4O4
InChI InChI=1S/C28H26N4O4/c1-15-25(17(3)33)27(19(5)35)29-31(15)23-11-7-21(8-12-23)22-9-13-24(14-10-22)32-16(2)26(18(4)34)28(30-32)20(6)36/h7-14H,1-6H3
InChIKey FXHDJUVBJLUFEF-UHFFFAOYSA-N
Instrument Name Shimadzu-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2013.11.040
Molecular Weight 482.540 g/mol
SMILES c1(ccc(cc1)-[n]1nc(c(c1C)C(=O)C)C(C)=O)-c1ccc(cc1)-[n]1nc(c(c1C)C(=O)C)C(C)=O
SPLASH splash10-0159-0000900000-37dce89fafe91da98101
Source of Spectrum AJC-10-S3008-7
Wiley ID 1857210