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

*Links on SpectraBase are not permalinks.
2,6-Di-tert-butyl-4-[5-(pyridin-4-yl)-3-sulfanyl-4H-1,2,4-triazole-4-ylimino]cyclohexa-2,5-dienone
SpectraBase Compound ID 3XWWvwSQc3G
InChI InChI=1S/C21H25N5OS/c1-20(2,3)15-11-14(12-16(17(15)27)21(4,5)6)25-26-18(23-24-19(26)28)13-7-9-22-10-8-13/h7-12H,1-6H3,(H,24,28)
InChIKey NSVWCJOSZAKPKY-UHFFFAOYSA-N
Mol Weight 395.53 g/mol
Molecular Formula C21H25N5OS
Exact Mass 395.177982 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 J8qEjW06eg9
Name 2,6-Di-tert-butyl-4-[5-(pyridin-4-yl)-3-sulfanyl-4H-1,2,4-triazole-4-ylimino]cyclohexa-2,5-dienone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N5OS
InChI InChI=1S/C21H25N5OS/c1-20(2,3)15-11-14(12-16(17(15)27)21(4,5)6)25-26-18(23-24-19(26)28)13-7-9-22-10-8-13/h7-12H,1-6H3,(H,24,28)
InChIKey NSVWCJOSZAKPKY-UHFFFAOYSA-N
Molecular Weight 395.525 g/mol
SMILES Sc1[n](c(nn1)-c1ccncc1)N=C1C=C(C(C)(C)C)C(C(=C1)C(C)(C)C)=O
SPLASH splash10-000j-1219000000-54ae5a37cd84f5649517
Source of Spectrum O1-45-142-3a
Wiley ID 1668991