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1,4-Bis{spiro[2,2,dicyano-4-phenylcyclobutane-1,1'-bis[1,2,5]thiadiazolodicyanocyclohexanemethane}benzene
SpectraBase Compound ID EzA4lwwAuii
InChI InChI=1S/C34H10N16S4/c35-7-17(8-36)21-23-27(47-51-43-23)33(28-24(21)44-52-48-28)19(5-31(33,11-39)12-40)15-1-2-16(4-3-15)20-6-32(13-41,14-42)34(20)29-25(45-53-49-29)22(18(9-37)10-38)26-30(34)50-54-46-26/h1-4,19-20H,5-6H2
InChIKey BSQIONZJHLMIOE-UHFFFAOYSA-N
Mol Weight 770.8 g/mol
Molecular Formula C34H10N16S4
Exact Mass 770.015719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fUZsWiD58z
Name 1,4-Bis{spiro[2,2,dicyano-4-phenylcyclobutane-1,1'-bis[1,2,5]thiadiazolodicyanocyclohexanemethane}benzene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H10N16S4
InChI InChI=1S/C34H10N16S4/c35-7-17(8-36)21-23-27(47-51-43-23)33(28-24(21)44-52-48-28)19(5-31(33,11-39)12-40)15-1-2-16(4-3-15)20-6-32(13-41,14-42)34(20)29-25(45-53-49-29)22(18(9-37)10-38)26-30(34)50-54-46-26/h1-4,19-20H,5-6H2
InChIKey BSQIONZJHLMIOE-UHFFFAOYSA-N
Molecular Weight 770.806 g/mol
SMILES C12(c3c(nsn3)C(c3c1nsn3)=C(C#N)C#N)C(C#N)(C#N)CC2c1ccc(C2C3(c4c(nsn4)C(c4c3nsn4)=C(C#N)C#N)C(C2)(C#N)C#N)cc1
SPLASH splash10-03dr-0000069000-f6d1161df64737ee2cd5
Source of Spectrum C-116-2802-6
Synonyms 1,4-Bis{Spiro[bis[1,2,5]thiadiazolobicyanomethylenecyclohexane-4,1'-2',2'-dicyanocyclobut-4-yl]}benzene 4-{4-[2,2-dicyano-8'-(dicyanomethylidene)-5',11'-dithia-4',6',10',12'-tetraazaspiro[cyclobutane-1,2'-tricyclo[7.3.0.0(3,7)]dodecane]-1'(12'),3',6',9'-tetraen-4-yl]phenyl}-8'-(dicyanomethylidene)-5',11'-dithia-4',6',10',12'-tetraazaspiro[cyclobutane-1,2'-tricyclo[7.3.0.0(3,7)]dodecane]-1'(12'),3',6',9'-tetraene-2,2-dicarbonitrile
Wiley ID 1416710