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2,6-Di-tert-butyl-4-[5-(furan-2-yl)-3-sulfanyl-4H-1,2,4-triazole-4-ylimino]cyclohexa-2,5-dienone
SpectraBase Compound ID FmLCh3rcXPK
InChI InChI=1S/C20H24N4O2S/c1-19(2,3)13-10-12(11-14(16(13)25)20(4,5)6)23-24-17(21-22-18(24)27)15-8-7-9-26-15/h7-11H,1-6H3,(H,22,27)
InChIKey LHBMYWKLRXGXLS-UHFFFAOYSA-N
Mol Weight 384.5 g/mol
Molecular Formula C20H24N4O2S
Exact Mass 384.161997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9LadNuqhX4
Name 2,6-Di-tert-butyl-4-[5-(furan-2-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 C20H24N4O2S
InChI InChI=1S/C20H24N4O2S/c1-19(2,3)13-10-12(11-14(16(13)25)20(4,5)6)23-24-17(21-22-18(24)27)15-8-7-9-26-15/h7-11H,1-6H3,(H,22,27)
InChIKey LHBMYWKLRXGXLS-UHFFFAOYSA-N
Molecular Weight 384.498 g/mol
SMILES Sc1[n](c(nn1)-c1occc1)N=C1C=C(C(C)(C)C)C(C(=C1)C(C)(C)C)=O
SPLASH splash10-0006-9123000000-f5d4ab1bdea789fa3f81
Source of Spectrum O1-45-142-3c
Wiley ID 1690321