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

View entire compound with spectra: 1 MS (GC)

5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-(pyridin-3-yl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazol-6-yl(3-nitrophenyl)methanone
SpectraBase Compound ID 6iP6m7dmduh
InChI InChI=1S/C29H30N6O4S/c1-28(2,3)21-14-20(15-22(24(21)37)29(4,5)6)33-26(23(36)17-9-7-11-19(13-17)35(38)39)40-27-32-31-25(34(27)33)18-10-8-12-30-16-18/h7-16,26,37H,1-6H3
InChIKey JYDXDDLLVQHREE-UHFFFAOYSA-N
Mol Weight 558.66 g/mol
Molecular Formula C29H30N6O4S
Exact Mass 558.204925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2I7ZUuKiKO
Name 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-(pyridin-3-yl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazol-6-yl(3-nitrophenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30N6O4S
InChI InChI=1S/C29H30N6O4S/c1-28(2,3)21-14-20(15-22(24(21)37)29(4,5)6)33-26(23(36)17-9-7-11-19(13-17)35(38)39)40-27-32-31-25(34(27)33)18-10-8-12-30-16-18/h7-16,26,37H,1-6H3
InChIKey JYDXDDLLVQHREE-UHFFFAOYSA-N
Molecular Weight 558.657 g/mol
SMILES Oc1c(cc(N2[n]3c(SC2C(c2cc(N(=O)=O)ccc2)=O)nnc3-c2cnccc2)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-0ufr-4900000000-6c6cc72aa9fed9f10072
Source of Spectrum O1-45-144-6e
Wiley ID 1690310