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1-Isothiocyanato-4-(trans-4-octylcyclohexyl)benzene

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

1-Isothiocyanato-4-(trans-4-octylcyclohexyl)benzene
SpectraBase Compound ID DK3iyrScPEw
InChI InChI=1S/C21H31NS/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)20-13-15-21(16-14-20)22-17-23/h13-16,18-19H,2-12H2,1H3/t18-,19-
InChIKey LPCYDIMBPIGDDK-WGSAOQKQSA-N
Mol Weight 329.55 g/mol
Molecular Formula C21H31NS
Exact Mass 329.217721 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7CM6v7pdj8M
Name 1-Isothiocyanato-4-(trans-4-octylcyclohexyl)benzene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 366862
CAS Registry Number 92412-69-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NS
InChI InChI=1S/C21H31NS/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)20-13-15-21(16-14-20)22-17-23/h13-16,18-19H,2-12H2,1H3/t18-,19-
InChIKey LPCYDIMBPIGDDK-WGSAOQKQSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-isothiocyanato-4-(trans-4-octylcyclo-hexyl)benz
Wiley ID SIAL_1HNMR_007701