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1-Pentanethione, 5-cyclopropyl-2,2-dimethyl-1-phenyl-

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1-Pentanethione, 5-cyclopropyl-2,2-dimethyl-1-phenyl-
SpectraBase Compound ID AcNL7WGWblA
InChI InChI=1S/C16H22S/c1-16(2,12-6-7-13-10-11-13)15(17)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChIKey MEMFREHXLAGQFZ-UHFFFAOYSA-N
Mol Weight 246.41 g/mol
Molecular Formula C16H22S
Exact Mass 246.144222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzwAXKxtxfC
Name 1-Phenyl-2,2-dimethyl-5-cyclopropyl-thiopentanone
CAS Registry Number 72182-64-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H22S
InChI InChI=1S/C16H22S/c1-16(2,12-6-7-13-10-11-13)15(17)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChIKey MEMFREHXLAGQFZ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference K.W. Ho, P.D. Mayo, J. Am. Chem. Soc. 101, 5725 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3