For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 MS (GC)

5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-(furan-2-yl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazol-6-yl(4-bromophenyl)methanone
SpectraBase Compound ID 7xB6cPWgvZ8
InChI InChI=1S/C28H29BrN4O3S/c1-27(2,3)19-14-18(15-20(23(19)35)28(4,5)6)32-25(22(34)16-9-11-17(29)12-10-16)37-26-31-30-24(33(26)32)21-8-7-13-36-21/h7-15,25,35H,1-6H3
InChIKey ACYDFFWGYPOZBY-UHFFFAOYSA-N
Mol Weight 581.53 g/mol
Molecular Formula C28H29BrN4O3S
Exact Mass 580.114375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JBAsJOxaDAv
Name 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-(furan-2-yl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazol-6-yl(4-bromophenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29BrN4O3S
InChI InChI=1S/C28H29BrN4O3S/c1-27(2,3)19-14-18(15-20(23(19)35)28(4,5)6)32-25(22(34)16-9-11-17(29)12-10-16)37-26-31-30-24(33(26)32)21-8-7-13-36-21/h7-15,25,35H,1-6H3
InChIKey ACYDFFWGYPOZBY-UHFFFAOYSA-N
Molecular Weight 581.529 g/mol
SMILES Oc1c(cc(N2[n]3c(SC2C(c2ccc(Br)cc2)=O)nnc3-c2occc2)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-0540-0900000000-0e178ef04750d14fdff1
Source of Spectrum O1-45-145-6f
Wiley ID 1690309