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(E)-2-[(1,3-Diaza-1,3-diethyl-4,6-dioxo-2-thioxocyclohex-5-ylidene)methyl]-2'-(E)-(4-N,N-dimethylaminobenzylidene)methyl]-2-formyl-6,6'-bis(4,5-dihydro-6H-cyclopenta[b]thienylidene)
SpectraBase Compound ID IM9riTWZJ1L
InChI InChI=1S/C43H53N3O2S3/c1-5-9-11-13-25-44(26-14-12-10-6-2)33-20-15-30(16-21-33)17-22-34-27-31-18-23-36(39(31)50-34)37-24-19-32-28-35(51-40(32)37)29-38-41(47)45(7-3)43(49)46(8-4)42(38)48/h15-17,20-22,27-29H,5-14,18-19,23-26H2,1-4H3/b22-17+,37-36+
InChIKey WOCYXCXELSWMKR-HPRMMFBGSA-N
Mol Weight 740.1 g/mol
Molecular Formula C43H53N3O2S3
Exact Mass 739.329991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fgclw1o6SR
Name (E)-2-[(1,3-Diaza-1,3-diethyl-4,6-dioxo-2-thioxocyclohex-5-ylidene)methyl]-2'-(E)-(4-N,N-dimethylaminobenzylidene)methyl]-2-formyl-6,6'-bis(4,5-dihydro-6H-cyclopenta[b]thienylidene)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H53N3O2S3
InChI InChI=1S/C43H53N3O2S3/c1-5-9-11-13-25-44(26-14-12-10-6-2)33-20-15-30(16-21-33)17-22-34-27-31-18-23-36(39(31)50-34)37-24-19-32-28-35(51-40(32)37)29-38-41(47)45(7-3)43(49)46(8-4)42(38)48/h15-17,20-22,27-29H,5-14,18-19,23-26H2,1-4H3/b22-17+,37-36+
InChIKey WOCYXCXELSWMKR-HPRMMFBGSA-N
Molecular Weight 740.096 g/mol
SMILES C1(C(N(CC)C(N(C1=O)CC)=S)=O)=Cc1sc2\C(=C\3c4c(cc(s4)\C=C\c4ccc(cc4)N(CCCCCC)CCCCCC)CC3)CCc2c1
SPLASH splash10-0h7s-0092340300-d08c2221f35680ba6d7c
Source of Spectrum J-67-215-3
Wiley ID 1568912