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5,5'-Di(2-hydroxybenzoyl)-1,1',4,4'-tetraphenyl-3,3'-bipyrazole

View entire compound with spectra: 1 MS (GC)

5,5'-Di(2-hydroxybenzoyl)-1,1',4,4'-tetraphenyl-3,3'-bipyrazole
SpectraBase Compound ID En1d2MlJfhB
InChI InChI=1S/C44H30N4O4/c49-35-27-15-13-25-33(35)43(51)41-37(29-17-5-1-6-18-29)39(45-47(41)31-21-9-3-10-22-31)40-38(30-19-7-2-8-20-30)42(44(52)34-26-14-16-28-36(34)50)48(46-40)32-23-11-4-12-24-32/h1-28,49-50H
InChIKey HJTGPGIGYUNRKX-UHFFFAOYSA-N
Mol Weight 678.7 g/mol
Molecular Formula C44H30N4O4
Exact Mass 678.226705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6ZSZY24VvB
Name 5,5'-Di(2-hydroxybenzoyl)-1,1',4,4'-tetraphenyl-3,3'-bipyrazole
Alternate Name(s) 2-[(3-{5-[(2-hydroxyphenyl)carbonyl]-1,4-diphenyl-1H-pyrazol-3-yl}-1,4-diphenyl-1H-pyrazol-5-yl)carbonyl]phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H30N4O4
InChI InChI=1S/C44H30N4O4/c49-35-27-15-13-25-33(35)43(51)41-37(29-17-5-1-6-18-29)39(45-47(41)31-21-9-3-10-22-31)40-38(30-19-7-2-8-20-30)42(44(52)34-26-14-16-28-36(34)50)48(46-40)32-23-11-4-12-24-32/h1-28,49-50H
InChIKey HJTGPGIGYUNRKX-UHFFFAOYSA-N
Molecular Weight 678.748 g/mol
SMILES Oc1c(C(c2[n](nc(-c3n[n](c(C(c4c(cccc4)O)=O)c3-c3ccccc3)-c3ccccc3)c2-c2ccccc2)-c2ccccc2)=O)cccc1
SPLASH splash10-02mi-0940403000-f62a7b36b1ff39893da0
Source of Spectrum KC-61-5232-13
Wiley ID 1629337