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1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane

Compound with spectra: 2 NMR, and 1 FTIR

1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane
SpectraBase Compound ID HFHxEQt1yRE
InChI InChI=1S/C21H29NS/c1-2-3-4-5-10-20-11-14-21(15-12-20,16-13-20)18-6-8-19(9-7-18)22-17-23/h6-9H,2-5,10-16H2,1H3
InChIKey QFAIJDOQNIKXJY-UHFFFAOYSA-N
Mol Weight 327.53 g/mol
Molecular Formula C21H29NS
Exact Mass 327.202071 g/mol

View Spectrum of 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane

ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich
Catalog Number 369543

View Spectrum of 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane

13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 369543
Solvent CDCl3

View Spectrum of 1-Hexyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane

1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 369543
Solvent CDCl3
  • AC1MSFN2
  • SCHEMBL4524092
  • CTK4B2248
  • ZINC2558661
4-Methyl-1-(4-nitro-phenyl)-bicyclo(2.2.2)octane
1-(4-trans-Hexylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene
4-(1-Adamantyl)aniline
1-(4,4-difluoro-1-methylcyclohexyl)-4-methoxybenzene
1-(3-Amino-phenyl)-bicyclo(2.2.2)octane
1-(3-Bromo-phenyl)-bicyclo(2.2.2)octane
1-(META-FLUOROPHENYL)-BICYCLO-[2.2.2]-OCTANE
1-(3-Tolyl)-bicyclo(2.2.2)octane
Bicyclo[3.3.1]nonane, 1-phenyl-
YUEAHTVZGNCAMX-UHFFFAOYSA-N
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Unknown Identification

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