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1,3-DI-[4-ANILINO-5-(2'-HYDROXYPHENYL)-1,2,4-TRIAZOL-3-YL]-MERCAPTO-PROPANE
SpectraBase Compound ID BUOXYsOb8bP
InChI InChI=1S/C31H28N8O2S2/c40-26-18-9-7-16-24(26)28-32-34-30(38(28)36-22-12-3-1-4-13-22)42-20-11-21-43-31-35-33-29(25-17-8-10-19-27(25)41)39(31)37-23-14-5-2-6-15-23/h1-10,12-19,36-37,40-41H,11,20-21H2
InChIKey VSYGYUWTSWOMMD-UHFFFAOYSA-N
Mol Weight 608.74 g/mol
Molecular Formula C31H28N8O2S2
Exact Mass 608.177665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CL8HODvefYR
Name 1,3-DI-[4-ANILINO-5-(2'-HYDROXYPHENYL)-1,2,4-TRIAZOL-3-YL]-MERCAPTO-PROPANE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H28N8O2S2
InChI InChI=1S/C31H28N8O2S2/c40-26-18-9-7-16-24(26)28-32-34-30(38(28)36-22-12-3-1-4-13-22)42-20-11-21-43-31-35-33-29(25-17-8-10-19-27(25)41)39(31)37-23-14-5-2-6-15-23/h1-10,12-19,36-37,40-41H,11,20-21H2
InChIKey VSYGYUWTSWOMMD-UHFFFAOYSA-N
Literature Reference Author M.S.CHANDE,K.A.PUTHAMANE,P.A.BARVE,R.R.KHANWELKAR,D.S.VENKAT ARAMAN
Literature Reference Citation J.BRAZ.CHEM.SOC.,19,42(2008)
Literature Reference DOI 10.1590/s0103-50532008000100008
Molecular Weight 608.736 g/mol
Source File Reference UWIR5125