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cis-2-ISOPROPYL-5-[(METHYLSULFINYL)METHYL]-m-DIOXANE

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cis-2-ISOPROPYL-5-[(METHYLSULFINYL)METHYL]-m-DIOXANE
SpectraBase Compound ID 5lTjFnryxZV
InChI InChI=1S/C9H18O3S/c1-7(2)9-11-4-8(5-12-9)6-13(3)10/h7-9H,4-6H2,1-3H3
InChIKey RXGZDKFAHBMQGQ-UHFFFAOYSA-N
Mol Weight 206.3 g/mol
Molecular Formula C9H18O3S
Exact Mass 206.097666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WPoSYGXXuH
Name trans-5-Methylsulfinylmethyl-2-isopropyl-1,3-dioxane
CAS Registry Number 61523-01-1
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C9H18O3S
InChI InChI=1S/C9H18O3S/c1-7(2)9-11-4-8(5-12-9)6-13(3)10/h7-9H,4-6H2,1-3H3
InChIKey RXGZDKFAHBMQGQ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference E.L. Eliel, D. Kandasamy, R.C. Sechrest, J. Org. Chem. 42, 1533 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3