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Tricyclo[3.3.1.13,7]decane, 1-chloro-3-isothiocyanato-
SpectraBase Compound ID Gj9nLQpw4Cy
InChI InChI=1S/C11H14ClNS/c12-10-2-8-1-9(3-10)5-11(4-8,6-10)13-7-14/h8-9H,1-6H2/t8-,9+,10+,11?
InChIKey ZDYPFDWXESFRRQ-GYNUPAMWSA-N
Mol Weight 227.75 g/mol
Molecular Formula C11H14ClNS
Exact Mass 227.053548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76gu5KCvDUT
Name Tricyclo[3.3.1.13,7]decane, 1-chloro-3-isothiocyanato-
Alternate Name(s) 1-Chloro-3-isothiocyanatoadamantane
CAS Registry Number 113162-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14ClNS
InChI InChI=1S/C11H14ClNS/c12-10-2-8-1-9(3-10)5-11(4-8,6-10)13-7-14/h8-9H,1-6H2/t8-,9+,10+,11?
InChIKey ZDYPFDWXESFRRQ-GYNUPAMWSA-N
Molecular Weight 227.753 g/mol
SMILES C12(N=C=S)C[C@]3(Cl)C[C@](C2)(C[C@](C1)(C3)[H])[H]
SPLASH splash10-014i-1900000000-1816b1ee05a2d4dccc4e
Source of Spectrum J-53-1748-13
Wiley ID 1228457