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1-tert-butyl-4-(difluoro-thiocyanatomethyl)benzene
SpectraBase Compound ID I9Zn6b74OGs
InChI InChI=1S/C12H13F2NS/c1-11(2,3)9-4-6-10(7-5-9)12(13,14)16-8-15/h4-7H,1-3H3
InChIKey VYTONTGKKDQLQQ-UHFFFAOYSA-N
Mol Weight 241.3 g/mol
Molecular Formula C12H13F2NS
Exact Mass 241.073677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoUWJtgmELc
Name 1-[(thiocyanato-difluoro)methyl]-4-[(trimethyl)methyl]benzene
Alternate Name(s) thiocyanic acid[(4-tert-butylphenyl)-difluoro-methyl]ester [(4-tert-butylphenyl)-bis(fluoranyl)methyl]thiocyanate [(4-tert-butylphenyl)-difluoro-methyl]thiocyanate thiocyanic acid [(4-tert-butylphenyl)-difluoromethyl] ester [(4-tert-butylphenyl)-difluoromethyl] thiocyanate [(4-tert-butylphenyl)-difluoro-methyl] thiocyanate [(4-tert-butylphenyl)-bis(fluoranyl)methyl] thiocyanate
CAS Registry Number 114467-98-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F2NS
InChI InChI=1S/C12H13F2NS/c1-11(2,3)9-4-6-10(7-5-9)12(13,14)16-8-15/h4-7H,1-3H3
InChIKey VYTONTGKKDQLQQ-UHFFFAOYSA-N
Molecular Weight 241.300 g/mol
SMILES C(SC#N)(c1ccc(C(C)(C)C)cc1)(F)F
SPLASH splash10-001i-0920000000-197862ff20c378fa62d2
Source of Spectrum K-121-1337-11
Wiley ID 1243962