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1-Adamantyl isothiocyanate

View entire compound with spectra: 2 NMR, 4 FTIR, 2 Raman, and 1 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

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9kJoJnjuxu
Name isothiocyanic acid, 1-adamantyl ester
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
CAS Registry Number 4411-26-1
Copyright Copyright © 2009-2024 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
Instrument Name Varian A-60
Sadtler NMR Number 7428M
Solvent CDCl3
Synonyms 1-ADAMANTYL ISOTHIOCYANATE ADAMANTANE, 1-ISOTHIOCYANATO-, ISOTHIOCYANIC ACID, 1-ADAMANTYL ESTER 1-ISOTHIOCYANATOADAMANTANE 1-ISOTHIOCYANATOTRICYCLO[3.3.1.1^3,7]DECANE