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1,4-bis{4',5'-bis(trimethylfluoromethyl)-1',3'-dithiacyclopent-4'-enylydene} 2-tetrazene
SpectraBase Compound ID GBS2JjfaTtB
InChI InChI=1S/C10F12N4S4/c11-7(12,13)1-2(8(14,15)16)28-5(27-1)23-25-26-24-6-29-3(9(17,18)19)4(30-6)10(20,21)22/b26-25+
InChIKey NPQYPVZSVBOJJV-OCEACIFDSA-N
Mol Weight 532.4 g/mol
Molecular Formula C10F12N4S4
Exact Mass 531.881419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2c91wmcj4oo
Name 1,4-bis{4',5'-bis(trimethylfluoromethyl)-1',3'-dithiacyclopent-4'-enylydene} 2-tetrazene
CAS Registry Number 133816-31-6
Comments Less than 3 mono-isotopic peaks
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Formula C10F12N4S4
InChI InChI=1S/C10F12N4S4/c11-7(12,13)1-2(8(14,15)16)28-5(27-1)23-25-26-24-6-29-3(9(17,18)19)4(30-6)10(20,21)22/b26-25+
InChIKey NPQYPVZSVBOJJV-OCEACIFDSA-N
Molecular Weight 532.359 g/mol
SMILES C1(=C(SC(S1)=N\N=N\N=C1SC(C(F)(F)F)=C(S1)C(F)(F)F)C(F)(F)F)C(F)(F)F
SPLASH splash10-004i-9000000000-fd96511c709a1f9f5479
Source of Spectrum K-124-2030-17
Synonyms (2E)-1,4-bis[4,5-bis(trifluoromethyl)-1,3-dithiol-2-ylidene]-2-tetrazene
Wiley ID 1403504