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1-Tert-butyl-4-(difluoro-isothiocyanatomethyl)benzene

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1-Tert-butyl-4-(difluoro-isothiocyanatomethyl)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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gHiYCqUJeo
Name 1-tert-butyl-4-(difluoro-isothiocyanatomethyl)benzene
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 241.299 g/mol
Source File Reference MHKO568