adipic acid bis(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) ester

SpectraBase Compound ID	961olqvSUeh
InChI	InChI=1S/C44H34N4O4/c49-37(51-43-35-25-15-29-45-47(35)41(33-21-9-3-10-22-33)39(43)31-17-5-1-6-18-31)27-13-14-28-38(50)52-44-36-26-16-30-46-48(36)42(34-23-11-4-12-24-34)40(44)32-19-7-2-8-20-32/h1-12,15-26,29-30H,13-14,27-28H2
InChIKey	TWPJXMYCVOJIRR-UHFFFAOYSA-N Google Search
Mol Weight	682.8 g/mol
Molecular Formula	C44H34N4O4
Exact Mass	682.258006 g/mol

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SpectraBase Spectrum ID	CvDIEicgJx4
Name	adipic acid bis(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) ester
Alternate Name(s)	bis(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) hexanedioate Hexanedioic acid bis(6,7-diphenyl-5-pyrrolo[1,2-b]pyridazinyl) ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C44H34N4O4
InChI	InChI=1S/C44H34N4O4/c49-37(51-43-35-25-15-29-45-47(35)41(33-21-9-3-10-22-33)39(43)31-17-5-1-6-18-31)27-13-14-28-38(50)52-44-36-26-16-30-46-48(36)42(34-23-11-4-12-24-34)40(44)32-19-7-2-8-20-32/h1-12,15-26,29-30H,13-14,27-28H2
InChIKey	TWPJXMYCVOJIRR-UHFFFAOYSA-N
Molecular Weight	682.780 g/mol
SMILES	c1([n]2c(c(c1-c1ccccc1)OC(=O)CCCCC(Oc1c(c(-c3ccccc3)[n]3c1C=CC=N3)-c1ccccc1)=O)C=CC=N2)-c1ccccc1
SPLASH	splash10-000i-0190000000-fe30b41065c0958e12c5
Source of Spectrum	D9-334-23-6
Wiley ID	1550781