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1-(Phenylthio)bicyclo[1.1.1]pentane

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1-(Phenylthio)bicyclo[1.1.1]pentane
SpectraBase Compound ID 85x1ilOiOFZ
InChI InChI=1S/C11H12S/c1-2-4-10(5-3-1)12-11-6-9(7-11)8-11/h1-5,9H,6-8H2
InChIKey AXGWEHWIGICNLX-UHFFFAOYSA-N
Mol Weight 176.28 g/mol
Molecular Formula C11H12S
Exact Mass 176.065972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUtF1ubPUBV
Name 1-Thiophenyl-(1.1.1)propellane
CAS Registry Number 98585-81-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12S
InChI InChI=1S/C11H12S/c1-2-4-10(5-3-1)12-11-6-9(7-11)8-11/h1-5,9H,6-8H2
InChIKey AXGWEHWIGICNLX-UHFFFAOYSA-N
Literature Reference K. Semmler, G. Szeimies, J. Belzner, J. Am. Chem. Soc. 107, 6410 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3