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2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4-octyl-[1,3]dithiolo[4,5-d]pyrimidine-5,7-dione
SpectraBase Compound ID CADFTzpkD5c
InChI InChI=1S/C18H24N2O2S4/c1-4-5-6-7-8-9-10-20-15-13(14(21)19-18(20)22)25-17(26-15)16-23-11(2)12(3)24-16/h4-10H2,1-3H3,(H,19,21,22)
InChIKey RKAPOQRGYNRYHR-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C18H24N2O2S4
Exact Mass 428.072063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGwjm8QCN9E
Name 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4-octyl-[1,3]dithiolo[4,5-d]pyrimidine-5,7-dione
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Formula C18H24N2O2S4
InChI InChI=1S/C18H24N2O2S4/c1-4-5-6-7-8-9-10-20-15-13(14(21)19-18(20)22)25-17(26-15)16-23-11(2)12(3)24-16/h4-10H2,1-3H3,(H,19,21,22)
InChIKey RKAPOQRGYNRYHR-UHFFFAOYSA-N
Instrument Name VG Analytical-Autospec EBE
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19960115)10_1_16
Molecular Weight 428.642 g/mol
SMILES N1C(C2=C(N(C1=O)CCCCCCCC)SC(S2)=C1SC(=C(S1)C)C)=O
SPLASH splash10-004i-3611900000-1e34157b47ee2f025782
Source of Spectrum RCM-10-17-1d
Wiley ID 1835942