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3-[4-(1,3-DIOXOLAN-2-YL)-BUTYL]-2,3-DIHYDRO-4-H-THIOPYRAN-4-ONE
SpectraBase Compound ID 92JUT5vqk98
InChI InChI=1S/C12H18O3S/c13-11-5-8-16-9-10(11)3-1-2-4-12-14-6-7-15-12/h5,8,10,12H,1-4,6-7,9H2
InChIKey GCSJFFODDXJCBZ-UHFFFAOYSA-N
Mol Weight 242.33 g/mol
Molecular Formula C12H18O3S
Exact Mass 242.097666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYIPBHersrC
Name 3-[4-(1,3-DIOXOLAN-2-YL)-BUTYL]-2,3-DIHYDRO-4-H-THIOPYRAN-4-ONE
Compound Number 21B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O3S
InChI InChI=1S/C12H18O3S/c13-11-5-8-16-9-10(11)3-1-2-4-12-14-6-7-15-12/h5,8,10,12H,1-4,6-7,9H2
InChIKey GCSJFFODDXJCBZ-UHFFFAOYSA-N
Literature Reference Author D.E.WARD,T.E.NIXEY,Y.GAI,M.J.HRAPCHAK,M.S.ABAEE
Literature Reference Citation CAN.J.CHEM.,74,1418(1996)
Literature Reference DOI 10.1139/v96-160
Molecular Weight 242.333 g/mol
Solvent CDCl3
Source File Reference UWMZ1537