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2,2',2''-(ALPHA,ALPHA',ALPHA''-MESITYLENETRIYL)-TRIS-[4,5-DIHYDRO-4-METHYL-PENTYLIMINO-1,3,4-THIADIAZOLE]
SpectraBase Compound ID JVL7bGLROXG
InChI InChI=1S/C33H51N9S3/c1-7-10-13-16-34-31-40(4)37-28(43-31)22-25-19-26(23-29-38-41(5)32(44-29)35-17-14-11-8-2)21-27(20-25)24-30-39-42(6)33(45-30)36-18-15-12-9-3/h19-21H,7-18,22-24H2,1-6H3/b34-31-,35-32-,36-33-
InChIKey AXZQZHNRXVVHQI-TUIVHVJNSA-N
Mol Weight 670.0 g/mol
Molecular Formula C33H51N9S3
Exact Mass 669.342956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zYaWzGnN3O
Name 2,2',2"-(.alpha.,.alpha.,.alpha.-Mesitylenetriyl)tris[5-(pentylimino)-4,5-dihydro-4-methyl-1,3,4-thiazole]
Alternate Name(s) 2,2',2''-(.alpha.,.alpha.,.alpha.-Mesitylenetriyl)tris[5-(pentylimino)-4,5-dihydro-4-methyl-1,3,4-thiazole]
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Formula C33H51N9S3
InChI InChI=1S/C33H51N9S3/c1-7-10-13-16-34-31-40(4)37-28(43-31)22-25-19-26(23-29-38-41(5)32(44-29)35-17-14-11-8-2)21-27(20-25)24-30-39-42(6)33(45-30)36-18-15-12-9-3/h19-21H,7-18,22-24H2,1-6H3/b34-31-,35-32-,36-33-
InChIKey AXZQZHNRXVVHQI-TUIVHVJNSA-N
Molecular Weight 670.014 g/mol
SMILES CN1\C(SC(=N1)Cc1cc(CC=2S\C(=N/CCCCC)N(N2)C)cc(c1)CC=1S\C(=N/CCCCC)N(N1)C)=N/CCCCC
SPLASH splash10-0ik9-3666390000-d6833451c0951e19cddf
Source of Spectrum H1-36-1275-13
Wiley ID 755356