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3-[2-[[(3aR,7S,7aS)-2,2,3a,7-tetramethyl-7,7a-dihydro-6H-1,3-benzodioxol-5-yl]thio]ethoxy]cyclopent-2-en-1-one
SpectraBase Compound ID 7ccAKPyRaHM
InChI InChI=1S/C18H26O4S/c1-12-9-15(11-18(4)16(12)21-17(2,3)22-18)23-8-7-20-14-6-5-13(19)10-14/h10-12,16H,5-9H2,1-4H3/t12-,16-,18+/m0/s1
InChIKey MYNJPRTXGHNTNL-ULFGMLNVSA-N
Mol Weight 338.46 g/mol
Molecular Formula C18H26O4S
Exact Mass 338.15518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KPWkh2P21hp
Name 3-[2-[[(3aR,7S,7aS)-2,2,3a,7-tetramethyl-7,7a-dihydro-6H-1,3-benzodioxol-5-yl]thio]ethoxy]cyclopent-2-en-1-one
CAS Registry Number 81939-95-9
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26O4S
InChI InChI=1S/C18H26O4S/c1-12-9-15(11-18(4)16(12)21-17(2,3)22-18)23-8-7-20-14-6-5-13(19)10-14/h10-12,16H,5-9H2,1-4H3/t12-,16-,18+/m0/s1
InChIKey MYNJPRTXGHNTNL-ULFGMLNVSA-N
Literature Reference Author A.K.MUSSER,P.L.FUCHS
Literature Reference Citation J.ORG.CHEM.,47,3121(1982)
Literature Reference DOI 10.1021/jo00137a018
Molecular Weight 338.462 g/mol
Solvent CDCl3
Source File Reference UWCS11350