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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 ASH1jwA54Xz
Name Cyclohexyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number C105406
CAS Registry Number 1122-82-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_011034