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2,4,5-Trichloro-3-cyano-6-(3,5-di-tert-butyl-4-
SpectraBase Compound ID 48piGbIi5nr
InChI InChI=1S/C21H23Cl3N4O/c1-20(2,3)13-7-11(8-14(17(13)29)21(4,5)6)10-26-28-19-16(23)15(22)12(9-25)18(24)27-19/h7-8,10,29H,1-6H3,(H,27,28)/b26-10+
InChIKey MAIXHOVYOCPRCF-NSKAYECMSA-N
Mol Weight 453.8 g/mol
Molecular Formula C21H23Cl3N4O
Exact Mass 452.093744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgBSjtuNBbD
Name 2,4,5-TRICHLORO-3-CYANO-6-(3,5-DI-tert-BUTYL-4-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H23Cl3N4O
InChI InChI=1S/C21H23Cl3N4O/c1-20(2,3)13-7-11(8-14(17(13)29)21(4,5)6)10-26-28-19-16(23)15(22)12(9-25)18(24)27-19/h7-8,10,29H,1-6H3,(H,27,28)/b26-10+
InChIKey MAIXHOVYOCPRCF-NSKAYECMSA-N
Molecular Weight 452.0934
SMILES N(\N=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1nc(Cl)c(C#N)c(Cl)c1Cl
SPLASH splash10-066u-8960000000-7d91b202b6da26ce6338
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany