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8-Chloro-6-( 4'-methylphenyl)-3,4-diphenylpyrimido[4',5' : 4,5]thieno[2,3-c]pyridazine
SpectraBase Compound ID LUVmjug8jIq
InChI InChI=1S/C27H17ClN4S/c1-16-12-14-19(15-13-16)26-29-23-21-20(17-8-4-2-5-9-17)22(18-10-6-3-7-11-18)31-32-27(21)33-24(23)25(28)30-26/h2-15H,1H3
InChIKey RMYDYJIIVZTJGH-UHFFFAOYSA-N
Mol Weight 464.97 g/mol
Molecular Formula C27H17ClN4S
Exact Mass 464.086245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtpVHNIIdqe
Name 8-Chloro-6-( 4'-methylphenyl)-3,4-diphenylpyrimido[4',5' : 4,5]thieno[2,3-c]pyridazine
Alternate Name(s) 8-chloro-6-(4-methylphenyl)-3,4-diphenylpyrimido[4',5':4,5]thieno[2,3-c]pyridazine 8-chloro-6-(4-methylphenyl)-3,4-diphenylpyrimido[4,5]thieno[1,2-d]pyridazine 8-chloranyl-6-(4-methylphenyl)-3,4-diphenyl-pyrimido[4,5]thieno[1,2-d]pyridazine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H17ClN4S
InChI InChI=1S/C27H17ClN4S/c1-16-12-14-19(15-13-16)26-29-23-21-20(17-8-4-2-5-9-17)22(18-10-6-3-7-11-18)31-32-27(21)33-24(23)25(28)30-26/h2-15H,1H3
InChIKey RMYDYJIIVZTJGH-UHFFFAOYSA-N
Molecular Weight 464.974 g/mol
SMILES c12c3c(c(Cl)nc(n3)-c3ccc(cc3)C)sc2nnc(c1-c1ccccc1)-c1ccccc1
SPLASH splash10-03di-0010900000-4a772298c5ef0ea2fdae
Source of Spectrum AH-127-544-6
Wiley ID 1391525