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Spiro[azulene-1(2H),2'-[1,3]dithiolane]-2,2,3,3(3aH)-tetracarbonitrile
SpectraBase Compound ID 8ajKyThILg2
InChI InChI=1S/C16H10N4S2/c17-8-14(9-18)12-4-2-1-3-5-13(12)16(21-6-7-22-16)15(14,10-19)11-20/h1-5,12H,6-7H2
InChIKey MEEVATHNXQIIFS-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C16H10N4S2
Exact Mass 322.034689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 731FIAW2ixh
Name Spiro[azulene-1(2H),2'-[1,3]dithiolane]-2,2,3,3(3aH)-tetracarbonitrile
CAS Registry Number 97245-21-1
Comments Less than 3 mono-isotopic peaks
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Formula C16H10N4S2
InChI InChI=1S/C16H10N4S2/c17-8-14(9-18)12-4-2-1-3-5-13(12)16(21-6-7-22-16)15(14,10-19)11-20/h1-5,12H,6-7H2
InChIKey MEEVATHNXQIIFS-UHFFFAOYSA-N
Molecular Weight 322.404 g/mol
SMILES C1(C2(C3=CC=CC=CC3C1(C#N)C#N)SCCS2)(C#N)C#N
SPLASH splash10-0006-0903000000-334ee189563c73207bf8
Source of Spectrum K-118-1852-21
Synonyms 3,3a-dihydro-2H-spiro[azulene-1,2'-[1,3]dithiolane]-2,2,3,3-tetracarbonitrile 3,3a-dihydrospiro[azulen-1(2H),2'-[1,3]dithiolan]-2,2,3,3-tetracarbonitril
Wiley ID 1321480