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1-Adamantyl isothiocyanate

View entire compound with spectra: 2 NMR, 4 FTIR, 2 Raman, and 2 MS (GC)

1-Adamantyl isothiocyanate
SpectraBase Compound ID EiFfrlzbYPv
InChI InChI=1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-
InChIKey YPKFLUARLJRPQM-BIBSGERRSA-N
Mol Weight 193.31 g/mol
Molecular Formula C11H15NS
Exact Mass 193.092521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9NmokHVniYa
Name ISOTHIOCYANIC ACID, 1-ADAMANTYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Relaxation agent added
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NS
InChI InChI=1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-
InChIKey YPKFLUARLJRPQM-BIBSGERRSA-N
Melting Point 166-168C
Molecular Weight 193.31
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ISOTHIOCYANIC ACID, 1-ADAMANTYL ESTER ADAMANTANE, 1-ISOTHIOCYANATO-,