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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBufmXplnWQ
Name 2,2',2''-(ALPHA,ALPHA',ALPHA''-MESITYLENETRIYL)-TRIS-[4,5-DIHYDRO-4-METHYL-PENTYLIMINO-1,3,4-THIADIAZOLE]
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author P.MOLINA,A.TARRAGA,I.DIAZ,A.ESPINOSA,C.GASPAR
Literature Reference Citation HETEROCYCLES,36,1263(1993)
Literature Reference DOI 10.3987/COM-92-6275
Molecular Weight 670.008 g/mol
Solvent CDCl3
Source File Reference UWCP6785