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5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-(pyridin-4-yl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazol-6-yl(phenyl)methanone

View entire compound with spectra: 2 MS (GC)

5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-(pyridin-4-yl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazol-6-yl(phenyl)methanone
SpectraBase Compound ID 6KZQccJAFU7
InChI InChI=1S/C29H31N5O2S/c1-28(2,3)21-16-20(17-22(24(21)36)29(4,5)6)33-26(23(35)18-10-8-7-9-11-18)37-27-32-31-25(34(27)33)19-12-14-30-15-13-19/h7-17,26,36H,1-6H3
InChIKey DGMPLCUGDCECMS-UHFFFAOYSA-N
Mol Weight 513.66 g/mol
Molecular Formula C29H31N5O2S
Exact Mass 513.219846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQZlqC0Rphn
Name 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-(pyridin-4-yl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazol-6-yl(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31N5O2S
InChI InChI=1S/C29H31N5O2S/c1-28(2,3)21-16-20(17-22(24(21)36)29(4,5)6)33-26(23(35)18-10-8-7-9-11-18)37-27-32-31-25(34(27)33)19-12-14-30-15-13-19/h7-17,26,36H,1-6H3
InChIKey DGMPLCUGDCECMS-UHFFFAOYSA-N
Molecular Weight 513.660 g/mol
SMILES Oc1c(cc(N2[n]3c(SC2C(=O)c2ccccc2)nnc3-c2ccncc2)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-0a6r-5910000000-1a40d0c3fea9f9455217
Source of Spectrum O1-45-144-6b
Wiley ID 1690313