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5-[3-Dicyanomethylene-1-indanon-2-ylidenemethyl]-5'-[(E)-(4-N,N-dimethylaminobenzylidene)methyl]-2,2-bithiophene
SpectraBase Compound ID 846LTVNS5z0
InChI InChI=1S/C31H21N3OS2/c1-34(2)22-10-7-20(8-11-22)9-12-23-13-15-28(36-23)29-16-14-24(37-29)17-27-30(21(18-32)19-33)25-5-3-4-6-26(25)31(27)35/h3-17H,1-2H3/b12-9+,27-17-
InChIKey JPIQLSXNOPICMC-PJDJIOGHSA-N
Mol Weight 515.65 g/mol
Molecular Formula C31H21N3OS2
Exact Mass 515.112605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RxIDQgo01j
Name 5-[3-Dicyanomethylene-1-indanon-2-ylidenemethyl]-5'-[(E)-(4-N,N-dimethylaminobenzylidene)methyl]-2,2-bithiophene
Alternate Name(s) 2-[(2Z)-2-[[5-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-thiophenyl]-2-thiophenyl]methylidene]-3-oxo-1-indenylidene]propanedinitrile 2-[(2Z)-2-[[5-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]thiophen-2-yl]thiophen-2-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile 2-[(2Z)-2-[[5-[5-[(E)-2-[4-(dimethylamino)phenyl]vinyl]-2-thienyl]-2-thienyl]methylene]-3-oxo-indan-1-ylidene]propanedinitrile 2-[(2Z)-2-[[5-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]thiophen-2-yl]thiophen-2-yl]methylidene]-3-oxidanylidene-inden-1-ylidene]propanedinitrile
Comments Less than 3 mono-isotopic peaks
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Formula C31H21N3OS2
InChI InChI=1S/C31H21N3OS2/c1-34(2)22-10-7-20(8-11-22)9-12-23-13-15-28(36-23)29-16-14-24(37-29)17-27-30(21(18-32)19-33)25-5-3-4-6-26(25)31(27)35/h3-17H,1-2H3/b12-9+,27-17-
InChIKey JPIQLSXNOPICMC-PJDJIOGHSA-N
Molecular Weight 515.649 g/mol
SMILES C1(\C(C(c2ccccc12)=O)=C\c1sc(-c2sc(\C=C\c3ccc(cc3)N(C)C)cc2)cc1)=C(C#N)C#N
SPLASH splash10-014i-0000090000-27f35af88223c5c60820
Source of Spectrum J-67-216-4
Wiley ID 1568907