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1-Acetoxy-cis-2-benzoyloxy-6-methoxy-1,2,3,4-tetrahydronaphthalene
SpectraBase Compound ID Ctn2TPyKJYB
InChI InChI=1S/C20H20O5/c1-13(21)24-19-17-10-9-16(23-2)12-15(17)8-11-18(19)25-20(22)14-6-4-3-5-7-14/h3-7,9-10,12,18-19H,8,11H2,1-2H3
InChIKey XFTJVVCQVDORCY-UHFFFAOYSA-N
Mol Weight 340.38 g/mol
Molecular Formula C20H20O5
Exact Mass 340.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqkB3wtKTvT
Name 1-Acetoxy-cis-2-benzoyloxy-6-methoxy-1,2,3,4-tetrahydronaphthalene
Comments Computed using HOSE algorithm
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Exact Mass 340.131073739 u
Formula C20H20O5
InChI InChI=1S/C20H20O5/c1-13(21)24-19-17-10-9-16(23-2)12-15(17)8-11-18(19)25-20(22)14-6-4-3-5-7-14/h3-7,9-10,12,18-19H,8,11H2,1-2H3
InChIKey XFTJVVCQVDORCY-UHFFFAOYSA-N
Molecular Weight 340.375 g/mol
SMILES C12=C(C(C(CC2)OC(C2=CC=CC=C2)=O)OC(C)=O)C=CC(=C1)OC