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3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile
SpectraBase Compound ID 2B6VDOoY9gV
InChI InChI=1S/C16H23NO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h9-10,18H,7H2,1-6H3
InChIKey BEQZSRGZHCDMMH-UHFFFAOYSA-N
Mol Weight 245.37 g/mol
Molecular Formula C16H23NO
Exact Mass 245.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IH1h4dwbpf
Name 2,6-Bis(1,1-dimethylethyl)-4-cyanomethylphenol
Alternate Name(s) 2-(3,5-di-tert-butyl-4-hydroxyphenyl)acetonitrile (3,5-Ditert-butyl-4-hydroxyphenyl)acetonitrile 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetonitrile 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanenitrile
CAS Registry Number 1611-07-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO
InChI InChI=1S/C16H23NO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h9-10,18H,7H2,1-6H3
InChIKey BEQZSRGZHCDMMH-UHFFFAOYSA-N
Molecular Weight 245.366 g/mol
SMILES Oc1c(C(C)(C)C)cc(CC#N)cc1C(C)(C)C
SPLASH splash10-001i-7390000000-10c0ce9f1af0ee5b138c
Source of Spectrum JX-2015-1-467
Wiley ID 1721293