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3,5-Ditert-butyl-4-hydroxybenzyl thiocyanate
SpectraBase Compound ID Ldk6MDLRksa
InChI InChI=1S/C16H23NOS/c1-15(2,3)12-7-11(9-19-10-17)8-13(14(12)18)16(4,5)6/h7-8,18H,9H2,1-6H3
InChIKey GPWXIYJVFVRAAA-UHFFFAOYSA-N
Mol Weight 277.43 g/mol
Molecular Formula C16H23NOS
Exact Mass 277.150036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzJwKduWLml
Name 3,5-Ditert-butyl-4-hydroxybenzyl thiocyanate
CAS Registry Number 78536-43-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NOS
InChI InChI=1S/C16H23NOS/c1-15(2,3)12-7-11(9-19-10-17)8-13(14(12)18)16(4,5)6/h7-8,18H,9H2,1-6H3
InChIKey GPWXIYJVFVRAAA-UHFFFAOYSA-N
Molecular Weight 277.426 g/mol
SMILES Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)CSC#N
SPLASH splash10-014i-7980000000-54ae4d3998c0366297ba
Synonyms (3,5-ditert-butyl-4-hydroxy-phenyl)methyl thiocyanate (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl thiocyanate Phenol, 2,6-ditert-butyl-4-thiocyanatomethyl- thiocyanic acid (3,5-ditert-butyl-4-hydroxy-benzyl) ester thiocyanic acid (3,5-ditert-butyl-4-hydroxyphenyl)methyl ester
Wiley ID 1457306