John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6UHVDZuVG26 SpectraBase Spectrum ID=10ab9OfvDTs

(accessed ).
cis-2-ISOPROPYL-5-[(METHYLSULFONYL)METHYL]-m-DIOXANE
SpectraBase Compound ID 6UHVDZuVG26
InChI InChI=1S/C9H18O4S/c1-7(2)9-12-4-8(5-13-9)6-14(3,10)11/h7-9H,4-6H2,1-3H3
InChIKey ZNKRLKAQODUECZ-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C9H18O4S
Exact Mass 222.092581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10ab9OfvDTs
Name cis-2-ISOPROPYL-5-[(METHYLSULFONYL)METHYL]-m-DIOXANE
Source of Sample E. L. Eliel, D. Kandasamy, R. C. Sechrest J. Org. Chem. 42, 1533(1977)
CAS Registry Number 61523-02-2
Copyright Copyright © 1980, 1981-2020 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O4S
InChI InChI=1S/C9H18O4S/c1-7(2)9-12-4-8(5-13-9)6-14(3,10)11/h7-9H,4-6H2,1-3H3
InChIKey ZNKRLKAQODUECZ-UHFFFAOYSA-N
Molecular Weight 222.31
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100
SpectraBase Batch ID CDPFH68SKhm
Synonyms M-DIOXANE, 2-ISOPROPYL-5-//METHYLSULFONYL/METHYL/-, cis-,