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

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

1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene
SpectraBase Compound ID BBUxjHu8S4G
InChI InChI=1S/C16H21NS/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)17-12-18/h8-11,13-14H,2-7H2,1H3/t13-,14-
InChIKey IPCQSBSEIBDYIY-HDJSIYSDSA-N
Mol Weight 259.41 g/mol
Molecular Formula C16H21NS
Exact Mass 259.139471 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9avD4jL0lb1
Name 1-Isothiocyanato-4-(trans-4-propylcyclohexyl)benzene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 366293
CAS Registry Number 92412-67-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NS
InChI InChI=1S/C16H21NS/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)17-12-18/h8-11,13-14H,2-7H2,1H3/t13-,14-
InChIKey IPCQSBSEIBDYIY-HDJSIYSDSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-isothiocyanato-4-(4-propylcyclohexyl)-,trans-Benzene
Wiley ID SIAL_13CNMR_007746