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N-(2,6-Di-t-butyl-4-phenylphenyl)isothiocyanate
SpectraBase Compound ID 9k7ALJE0byO
InChI InChI=1S/C21H25NS/c1-20(2,3)17-12-16(15-10-8-7-9-11-15)13-18(21(4,5)6)19(17)22-14-23/h7-13H,1-6H3
InChIKey VGFPYWIWFNKETP-UHFFFAOYSA-N
Mol Weight 323.5 g/mol
Molecular Formula C21H25NS
Exact Mass 323.170771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kTej8507x4
Name N-(2,6-Di-t-butyl-4-phenylphenyl)isothiocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NS
InChI InChI=1S/C21H25NS/c1-20(2,3)17-12-16(15-10-8-7-9-11-15)13-18(21(4,5)6)19(17)22-14-23/h7-13H,1-6H3
InChIKey VGFPYWIWFNKETP-UHFFFAOYSA-N
Molecular Weight 323.498 g/mol
SMILES c1(c(cc(cc1C(C)(C)C)-c1ccccc1)C(C)(C)C)N=C=S
SPLASH splash10-05fr-1029000000-6aba454ebdbf1ee43e1d
Source of Spectrum SO-0-826-5
Synonyms 3,5-Ditert-butyl-4-isothiocyanato-1,1'-biphenyl N-(2,6-Di-t-butyl-4-phenylphenyl)isocyanate
Wiley ID 1538271