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2-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-nitro-benzonitrile
SpectraBase Compound ID 8lWJ67Ekkvd
InChI InChI=1S/C21H24N2O3/c1-20(2,3)17-10-13(11-18(19(17)24)21(4,5)6)16-8-7-15(23(25)26)9-14(16)12-22/h7-11,24H,1-6H3
InChIKey XHGUWFNJJGCUAJ-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCgazYheram
Name 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-nitro-benzonitrile
CAS Registry Number 97211-19-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-20(2,3)17-10-13(11-18(19(17)24)21(4,5)6)16-8-7-15(23(25)26)9-14(16)12-22/h7-11,24H,1-6H3
InChIKey XHGUWFNJJGCUAJ-UHFFFAOYSA-N
Molecular Weight 352.434 g/mol
SMILES Oc1c(cc(-c2ccc(N(=O)=O)cc2C#N)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-000i-2009000000-9d1eea69a5c188dca0eb
Source of Spectrum J-50-3094-10
Synonyms 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-nitro-benzenecarbonitrile
Wiley ID 1343449