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2-(3-cyano-4-((1E,3E,5E,7E)-9-(4,5-dimethyl-1,3-dithiol-2-ylidene)-3,8-dimethylnona-1,3,5,7-tetraen-1-yl)-5,5-dimethylfuran-2(5H)-ylidene)malononitrile

View entire compound with spectra: 1 MS (GC)

2-(3-cyano-4-((1E,3E,5E,7E)-9-(4,5-dimethyl-1,3-dithiol-2-ylidene)-3,8-dimethylnona-1,3,5,7-tetraen-1-yl)-5,5-dimethylfuran-2(5H)-ylidene)malononitrile
SpectraBase Compound ID FaxF5U1EmZG
InChI InChI=1S/C26H25N3OS2/c1-17(9-7-8-10-18(2)13-24-31-19(3)20(4)32-24)11-12-23-22(16-29)25(21(14-27)15-28)30-26(23,5)6/h7-13H,1-6H3/b8-7+,12-11+,17-9+,18-10+
InChIKey PEFAMEYDYYFDBP-VVAYLITESA-N
Mol Weight 459.63 g/mol
Molecular Formula C26H25N3OS2
Exact Mass 459.143905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8tNyxGGNqU
Name 2-(3-cyano-4-((1E,3E,5E,7E)-9-(4,5-dimethyl-1,3-dithiol-2-ylidene)-3,8-dimethylnona-1,3,5,7-tetraen-1-yl)-5,5-dimethylfuran-2(5H)-ylidene)malononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25N3OS2
InChI InChI=1S/C26H25N3OS2/c1-17(9-7-8-10-18(2)13-24-31-19(3)20(4)32-24)11-12-23-22(16-29)25(21(14-27)15-28)30-26(23,5)6/h7-13H,1-6H3/b8-7+,12-11+,17-9+,18-10+
InChIKey PEFAMEYDYYFDBP-VVAYLITESA-N
Literature Reference DOI 10.1021/ol802045a
Molecular Weight 459.626 g/mol
SMILES C1(C)(C)C(\C=C\C(=C\C=C\C=C\(C=C2SC(=C(C)S2)C)C)C)=C(C(O1)=C(C#N)C#N)C#N
SPLASH splash10-06si-4940300000-5572418dd5697c88c0de
Source of Spectrum A1-10-4963/SMS6-8
Wiley ID 1760015