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1,3-ditert-butyl-4-(1,3-ditert-butyl-4-thioxo-1,3-diazetidin-2-ylidene)-1,3-diazetidine-2-thione
SpectraBase Compound ID HRfa7U8abwx
InChI InChI=1S/C20H36N4S2/c1-17(2,3)21-13(22(15(21)25)18(4,5)6)14-23(19(7,8)9)16(26)24(14)20(10,11)12/h1-12H3
InChIKey NCHPEYXJYPBKHI-UHFFFAOYSA-N
Mol Weight 396.7 g/mol
Molecular Formula C20H36N4S2
Exact Mass 396.23814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdRReu3nxQD
Name 1,3-ditert-butyl-4-(1,3-ditert-butyl-4-thioxo-1,3-diazetidin-2-ylidene)-1,3-diazetidine-2-thione
Appearance Yellow powder
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Exact Mass 396.238139523 u
Formula C20H36N4S2
InChI InChI=1S/C20H36N4S2/c1-17(2,3)21-13(22(15(21)25)18(4,5)6)14-23(19(7,8)9)16(26)24(14)20(10,11)12/h1-12H3
InChIKey NCHPEYXJYPBKHI-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/ejic.202300022
Molecular Weight 396.656 g/mol
Quality 113
SMILES C1(N(C(N1C(C)(C)C)=C1N(C(N1C(C)(C)C)=S)C(C)(C)C)C(C)(C)C)=S
SPLASH splash10-0a4i-9320000000-800f1b9eadead39c8c9c
Source of Spectrum U2-26-6-3b (DOI: 10.1002/ejic.202300022)
Wiley ID 1910355