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ethyl (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate

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ethyl (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
SpectraBase Compound ID IZn89u4vxom
InChI InChI=1S/C12H18O4/c1-3-15-12(13)9-6-4-5-8-10(14-2)7-16-11(8)9/h8,10H,3-7H2,1-2H3/t8-,10-/m1/s1
InChIKey PQBPAHIGLQBRIB-PSASIEDQSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JmJmrmbHYnL
Name ethyl (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
Compound Number 4R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-15-12(13)9-6-4-5-8-10(14-2)7-16-11(8)9/h8,10H,3-7H2,1-2H3/t8-,10-/m1/s1
InChIKey PQBPAHIGLQBRIB-PSASIEDQSA-N
Literature Reference Author E.BELLUR,H.GOERLS,P.LANGER
Literature Reference Citation EUR.J.ORG.CHEM.,2074(2005)
Molecular Weight 226.273 g/mol
Sample ID 39543
Solvent CDCl3