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Methyl 1-(3,4,5-trimethoxyphenyl)-3-.beta.-hydroxymethyl-4-oxo-6,7-(methylenedioxy)-1,2,3,4-tetrahydronaphthylene-2-carboxylate isomer

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Methyl 1-(3,4,5-trimethoxyphenyl)-3-.beta.-hydroxymethyl-4-oxo-6,7-(methylenedioxy)-1,2,3,4-tetrahydronaphthylene-2-carboxylate isomer
SpectraBase Compound ID 9js9FnywcTm
InChI InChI=1S/C23H24O9/c1-27-17-5-11(6-18(28-2)22(17)29-3)19-12-7-15-16(32-10-31-15)8-13(12)21(25)14(9-24)20(19)23(26)30-4/h5-8,14,19-20,24H,9-10H2,1-4H3/t14-,19?,20+/m1/s1
InChIKey ZOGBVXILEBPEES-XKCBZBSRSA-N
Mol Weight 444.44 g/mol
Molecular Formula C23H24O9
Exact Mass 444.142032 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtazzROjx9p
Name Methyl 1-(3,4,5-trimethoxyphenyl)-3-.beta.-hydroxymethyl-4-oxo-6,7-(methylenedioxy)-1,2,3,4-tetrahydronaphthylene-2-carboxylate isomer
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.142032344 u
Formula C23H24O9
InChI InChI=1S/C23H24O9/c1-27-17-5-11(6-18(28-2)22(17)29-3)19-12-7-15-16(32-10-31-15)8-13(12)21(25)14(9-24)20(19)23(26)30-4/h5-8,14,19-20,24H,9-10H2,1-4H3/t14-,19?,20+/m1/s1
InChIKey ZOGBVXILEBPEES-XKCBZBSRSA-N
Molecular Weight 444.436 g/mol
SMILES C=12C(C([C@](CO)([C@@](C2C2=CC(OC)=C(C(=C2)OC)OC)(C(=O)OC)[H])[H])=O)=CC=2OCOC2C1