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3,7,7-Trimethyl-9-oxa-8-thia-bicyclo(4.3.0)nonane S-oxide

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3,7,7-Trimethyl-9-oxa-8-thia-bicyclo(4.3.0)nonane S-oxide
SpectraBase Compound ID IIiAm3NnS75
InChI InChI=1S/C10H18O2S/c1-7-4-5-8-9(6-7)12-13(11)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-,13?/m1/s1
InChIKey PXLNIHJTTWRKDE-LDFRESITSA-N
Mol Weight 202.31 g/mol
Molecular Formula C10H18O2S
Exact Mass 202.102751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68pqwPF2Qau
Name 3,7,7-Trimethyl-9-oxa-8-thia-bicyclo(4.3.0)nonane S-oxide
Comments DIASTEREOMER 2, REASSIGNED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H18O2S
InChI InChI=1S/C10H18O2S/c1-7-4-5-8-9(6-7)12-13(11)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-,13?/m1/s1
InChIKey PXLNIHJTTWRKDE-LDFRESITSA-N
Instrument Name Bruker WM-250
Literature Reference J.E. Lynch, E.L. Eliel, J. Am. Chem. Soc. 106, 2943 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3