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3-Chloroadamantan-1-yl-trifluoromethylsulfane
SpectraBase Compound ID 3Qfs8TVekth
InChI InChI=1S/C11H14ClF3S/c12-9-2-7-1-8(3-9)5-10(4-7,6-9)16-11(13,14)15/h7-8H,1-6H2/t7-,8+,9+,10-
InChIKey LEEQFCHUGGEIQX-FIRGSJFUSA-N
Mol Weight 270.74 g/mol
Molecular Formula C11H14ClF3S
Exact Mass 270.045684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uH5h4tAdbE
Name 3-Chloroadamantan-1-yl-trifluoromethylsulfane
Alternate Name(s) ((1r,3s,5R,7S)-3-chloroadamantan-1-yl)(trifluoromethyl)sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14ClF3S
InChI InChI=1S/C11H14ClF3S/c12-9-2-7-1-8(3-9)5-10(4-7,6-9)16-11(13,14)15/h7-8H,1-6H2/t7-,8+,9+,10-
InChIKey LEEQFCHUGGEIQX-FIRGSJFUSA-N
Literature Reference DOI 10.1002/anie.201402573
Molecular Weight 270.741 g/mol
SMILES C1[C@@]2(C[C@]3(C[C@]1(C[C@@](C3)(SC(F)(F)F)C2)[H])Cl)[H]
SPLASH splash10-014i-1910000000-a4bbd32babe6173bdc21
Source of Spectrum ACI-53-SM7-3b
Wiley ID 1782534