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2,2',2''-(1,3,5-BENZENETRIYL)-TRIS-[4,5-DIHYDRO-4-METHYL-5-PENTYLIMINO-1,3,4-THIADIAZOLE]
SpectraBase Compound ID JyxhZdohVdk
InChI InChI=1S/C30H45N9S3/c1-7-10-13-16-31-28-37(4)34-25(40-28)22-19-23(26-35-38(5)29(41-26)32-17-14-11-8-2)21-24(20-22)27-36-39(6)30(42-27)33-18-15-12-9-3/h19-21H,7-18H2,1-6H3/b31-28+,32-29+,33-30+
InChIKey RLUYTSPFRPKFHT-MSMGOPBLSA-N
Mol Weight 627.9 g/mol
Molecular Formula C30H45N9S3
Exact Mass 627.296006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8jnSNxix91
Name 2,2',2''-(1,3,5-BENZENETRIYL)-TRIS-[4,5-DIHYDRO-4-METHYL-5-PENTYLIMINO-1,3,4-THIADIAZOLE]
Compound Number 10D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H45N9S3
InChI InChI=1S/C30H45N9S3/c1-7-10-13-16-31-28-37(4)34-25(40-28)22-19-23(26-35-38(5)29(41-26)32-17-14-11-8-2)21-24(20-22)27-36-39(6)30(42-27)33-18-15-12-9-3/h19-21H,7-18H2,1-6H3/b31-28+,32-29+,33-30+
InChIKey RLUYTSPFRPKFHT-MSMGOPBLSA-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 627.928 g/mol
Solvent CDCl3
Source File Reference UWCP6781