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2,2-Diphenyl-3-oxo-6-chloro-5-(5')-(2',2'-diphenyl-3'-oxo-1'-benzazolyl)-1-benzazole

View entire compound with spectra: 1 MS (GC)

2,2-Diphenyl-3-oxo-6-chloro-5-(5')-(2',2'-diphenyl-3'-oxo-1'-benzazolyl)-1-benzazole
SpectraBase Compound ID KiliJ95i9sv
InChI InChI=1S/C40H27ClN2O2/c41-34-25-36-33(38(45)40(43-36,29-17-9-3-10-18-29)30-19-11-4-12-20-30)24-31(34)26-21-22-35-32(23-26)37(44)39(42-35,27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-25,42-43H
InChIKey WLDJHLGXPQMYNG-UHFFFAOYSA-N
Mol Weight 603.1 g/mol
Molecular Formula C40H27ClN2O2
Exact Mass 602.176106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fGxxtfWlBo
Name 2,2-Diphenyl-3-oxo-6-chloro-5-(5')-(2',2'-diphenyl-3'-oxo-1'-benzazolyl)-1-benzazole
Alternate Name(s) 6-Chloro-5-(3-oxo-2,2-diphenyl-2,3-dihydro-1H-indol-5-yl)-2,2-diphenyl-2,3-dihydro-1H-indol-3-one
CAS Registry Number 94137-37-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H27ClN2O2
InChI InChI=1S/C40H27ClN2O2/c41-34-25-36-33(38(45)40(43-36,29-17-9-3-10-18-29)30-19-11-4-12-20-30)24-31(34)26-21-22-35-32(23-26)37(44)39(42-35,27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-25,42-43H
InChIKey WLDJHLGXPQMYNG-UHFFFAOYSA-N
Molecular Weight 603.121 g/mol
SMILES N1C(C(c2cc(-c3cc4C(C(Nc4cc3Cl)(c3ccccc3)c3ccccc3)=O)ccc12)=O)(c1ccccc1)c1ccccc1
SPLASH splash10-00di-0050095000-d101ab88cfb457972a4b
Source of Spectrum J-50-373-6
Wiley ID 1410352