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5-[(3aS,6S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-6-yl]valeric acid methyl ester
SpectraBase Compound ID 3M2LHBacQli
InChI InChI=1S/C13H22O4S/c1-13(2)16-9-8-18-10(12(9)17-13)6-4-5-7-11(14)15-3/h9-10,12H,4-8H2,1-3H3/t9-,10+,12-/m1/s1
InChIKey XKGLHYCHQGHHCQ-JFGNBEQYSA-N
Mol Weight 274.38 g/mol
Molecular Formula C13H22O4S
Exact Mass 274.12388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hFALK7aiQW
Name 5-[(3aS,6S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-6-yl]valeric acid methyl ester
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O4S
InChI InChI=1S/C13H22O4S/c1-13(2)16-9-8-18-10(12(9)17-13)6-4-5-7-11(14)15-3/h9-10,12H,4-8H2,1-3H3/t9-,10+,12-/m1/s1
InChIKey XKGLHYCHQGHHCQ-JFGNBEQYSA-N
Literature Reference Author W.X.CHEN,P.ZHANG,F.E.CHEN
Literature Reference Citation MAGN.RES.CHEM.,48,651(2010)
Molecular Weight 274.375 g/mol
Solvent Unknown
Source File Reference UWIR16734