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4-fluorobenzoic acid [(R)-[(3aR,7aS)-3,3a,4,5,6,7-hexahydro-2H-benzofuran-7a-yl]-methoxy-methyl] ester
SpectraBase Compound ID 4lSdiiuWkAR
InChI InChI=1S/C17H21FO4/c1-20-16(17-10-3-2-4-13(17)9-11-21-17)22-15(19)12-5-7-14(18)8-6-12/h5-8,13,16H,2-4,9-11H2,1H3/t13-,16-,17+/m1/s1
InChIKey YRJDJCIXIUAEKL-XYPHTWIQSA-N
Mol Weight 308.35 g/mol
Molecular Formula C17H21FO4
Exact Mass 308.142387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LjE45842C2
Name 4-fluorobenzoic acid [(R)-[(3aR,7aS)-3,3a,4,5,6,7-hexahydro-2H-benzofuran-7a-yl]-methoxy-methyl] ester
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21FO4
InChI InChI=1S/C17H21FO4/c1-20-16(17-10-3-2-4-13(17)9-11-21-17)22-15(19)12-5-7-14(18)8-6-12/h5-8,13,16H,2-4,9-11H2,1H3/t13-,16-,17+/m1/s1
InChIKey YRJDJCIXIUAEKL-XYPHTWIQSA-N
Literature Reference Author J.CAZELLE,A.ROBERT,B.MEUNIER
Literature Reference Citation J.ORG.CHEM.,67,609(2002)
Literature Reference DOI 10.1021/jo010688d
Molecular Weight 308.350 g/mol
Solvent CD2Cl2
Source File Reference UWMS23157