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S-(2,2-DIMETHYLPROPYL)-BENZENETHIOSULFINATE

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S-(2,2-DIMETHYLPROPYL)-BENZENETHIOSULFINATE
SpectraBase Compound ID 6tWr3W4mwKq
InChI InChI=1S/C11H16OS2/c1-11(2,3)9-13-14(12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey FXMFAMFGZQNJNW-UHFFFAOYSA-N
Mol Weight 228.37 g/mol
Molecular Formula C11H16OS2
Exact Mass 228.064257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALWbryhCl9Z
Name Benzenethiosulfinic acid, neopentyl ester
CAS Registry Number 80319-00-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H16OS2
InChI InChI=1S/C11H16OS2/c1-11(2,3)9-13-14(12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey FXMFAMFGZQNJNW-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference F. Freeman, C.N. Angeletakis, Org. Magn. Resonance 17, 53 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3