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1-tert-Butyl-4-[difluoro(isothiocyanato)methyl]benzene
SpectraBase Compound ID ERH5MxgsbwR
InChI InChI=1S/C12H13F2NS/c1-11(2,3)9-4-6-10(7-5-9)12(13,14)15-8-16/h4-7H,1-3H3
InChIKey AGNLCPBMHGMLAI-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 7nByauRQCVo
Name 1-tert-Butyl-4-[difluoro(isothiocyanato)methyl]benzene
CAS Registry Number 114467-95-7
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)15-8-16/h4-7H,1-3H3
InChIKey AGNLCPBMHGMLAI-UHFFFAOYSA-N
Molecular Weight 241.300 g/mol
SMILES C(N=C=S)(c1ccc(C(C)(C)C)cc1)(F)F
SPLASH splash10-00lr-0900000000-9b8b1b9a7d56aab55c07
Source of Spectrum K-121-1337-10
Synonyms 1-[bis(fluoranyl)-isothiocyanato-methyl]-4-tert-butyl-benzene
Wiley ID 1243961