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Cyclohexyl isothiocyanate

View entire compound with spectra: 7 NMR, 4 FTIR, 1 Raman, 6 MS (GC), and 2 Near IR

Cyclohexyl isothiocyanate
SpectraBase Compound ID JMd1lhjcw6u
InChI InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey MZSJGCPBOVTKHR-UHFFFAOYSA-N
Mol Weight 141.23 g/mol
Molecular Formula C7H11NS
Exact Mass 141.061221 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7FLnWNeXGO1
Name ISOTHIOCYANIC ACID, CYCLOHEXYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Boiling Point 219C
Comments Relaxation agent added
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NS
InChI InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey MZSJGCPBOVTKHR-UHFFFAOYSA-N
Molecular Weight 141.24
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ISOTHIOCYANIC ACID, CYCLOHEXYL ESTER CYCLOHEXYL ISOTHIOCYANATE