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2,2',2''-(ALPHA,ALPHA',ALPHA''-MESITYLENETRIYL)-TRIS-[4,5-DIHYDRO-5-(3-HYDROXYPROPYLIMINO)-4-METHYL-1,3,4-THIADIAZOLE]
SpectraBase Compound ID JZzhDk2C8Qc
InChI InChI=1S/C27H39N9O3S3/c1-34-25(28-7-4-10-37)40-22(31-34)16-19-13-20(17-23-32-35(2)26(41-23)29-8-5-11-38)15-21(14-19)18-24-33-36(3)27(42-24)30-9-6-12-39/h13-15,37-39H,4-12,16-18H2,1-3H3/b28-25-,29-26-,30-27-
InChIKey KEDIXMODHFXRRP-IUPFWZBJSA-N
Mol Weight 633.8 g/mol
Molecular Formula C27H39N9O3S3
Exact Mass 633.2338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73mTSZtx9Av
Name 2,2',2''-(ALPHA,ALPHA',ALPHA''-MESITYLENETRIYL)-TRIS-[4,5-DIHYDRO-5-(3-HYDROXYPROPYLIMINO)-4-METHYL-1,3,4-THIADIAZOLE]
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39N9O3S3
InChI InChI=1S/C27H39N9O3S3/c1-34-25(28-7-4-10-37)40-22(31-34)16-19-13-20(17-23-32-35(2)26(41-23)29-8-5-11-38)15-21(14-19)18-24-33-36(3)27(42-24)30-9-6-12-39/h13-15,37-39H,4-12,16-18H2,1-3H3/b28-25-,29-26-,30-27-
InChIKey KEDIXMODHFXRRP-IUPFWZBJSA-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 633.845 g/mol
Solvent DMSO-D6
Source File Reference UWCP6784