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1-tert-Butyl-4-[difluoro(isocyanato)methyl]benzene
SpectraBase Compound ID Eko9qm9zNyq
InChI InChI=1S/C12H13F2NO/c1-11(2,3)9-4-6-10(7-5-9)12(13,14)15-8-16/h4-7H,1-3H3
InChIKey XRDCYOQHEJVBPA-UHFFFAOYSA-N
Mol Weight 225.24 g/mol
Molecular Formula C12H13F2NO
Exact Mass 225.09652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CN2QioCxkXA
Name 1-tert-Butyl-4-[difluoro(isocyanato)methyl]benzene
Alternate Name(s) 1-[bis(fluoranyl)-isocyanato-methyl]-4-tert-butyl-benzene
CAS Registry Number 114467-92-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F2NO
InChI InChI=1S/C12H13F2NO/c1-11(2,3)9-4-6-10(7-5-9)12(13,14)15-8-16/h4-7H,1-3H3
InChIKey XRDCYOQHEJVBPA-UHFFFAOYSA-N
Molecular Weight 225.239 g/mol
SMILES C(N=C=O)(c1ccc(C(C)(C)C)cc1)(F)F
SPLASH splash10-03di-0290000000-55471ffcde43771196b8
Source of Spectrum K-121-1337-9
Wiley ID 1226361