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1-(4-chlorophenyl)imino-4,4-dimethylthiane

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1-(4-chlorophenyl)imino-4,4-dimethylthiane
SpectraBase Compound ID 7n8iKF4QSOS
InChI InChI=1S/C13H18ClNS/c1-13(2)7-9-16(10-8-13)15-12-5-3-11(14)4-6-12/h3-6H,7-10H2,1-2H3
InChIKey CHLXOXOCGXQZPO-UHFFFAOYSA-N
Mol Weight 255.81 g/mol
Molecular Formula C13H18ClNS
Exact Mass 255.084848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5GQgRUZgDSW
Name N-(4-Chlorophenyl)-4,4-dimethyl-thiane-1-imide
CAS Registry Number 67512-77-0
Comments AROMATIC CARBONS FROM AVERAGED VALUES IMIDE SUBSTITUENT EQUATORIAL C13 AXIAL, C12 EQUATORIAL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18ClNS
InChI InChI=1S/C13H18ClNS/c1-13(2)7-9-16(10-8-13)15-12-5-3-11(14)4-6-12/h3-6H,7-10H2,1-2H3
InChIKey CHLXOXOCGXQZPO-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference P.K. Claus, W. Rieder, F.W. Vierhapper, Monatsh. Chem. 109. 631 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CH2Cl2