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1-Phenyl-2,2-dimethyl-5-cyclopropylthiole
SpectraBase Compound ID G213IzY523C
InChI InChI=1S/C16H22S/c1-15(2)11-10-14(12-8-9-12)16(15,17)13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3
InChIKey XWQJATXFGXZUFL-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 JzHrLWMNyMi
Name 1-Phenyl-2,2-dimethyl-5-cyclopropylthiole
CAS Registry Number 72182-73-1
Comments isomer 1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H22S
InChI InChI=1S/C16H22S/c1-15(2)11-10-14(12-8-9-12)16(15,17)13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3
InChIKey XWQJATXFGXZUFL-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