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(2R,3R)-3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-carboxylic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2R,3R)-3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-carboxylic acid
SpectraBase Compound ID 4GW6legaSUB
InChI InChI=1S/C19H20O7/c1-22-10-17-18(11-4-6-13(23-2)15(8-11)24-3)26-16-9-12(19(20)21)5-7-14(16)25-17/h4-9,17-18H,10H2,1-3H3,(H,20,21)/t17-,18-/m1/s1
InChIKey NGFJLPCUXWNRKW-QZTJIDSGSA-N
Mol Weight 360.36 g/mol
Molecular Formula C19H20O7
Exact Mass 360.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6uqTf9ZXdlP
Name (2R,3R)-3-(3,4-Dimethoxyphenyl)-2-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.120902977 u
Formula C19H20O7
InChI InChI=1S/C19H20O7/c1-22-10-17-18(11-4-6-13(23-2)15(8-11)24-3)26-16-9-12(19(20)21)5-7-14(16)25-17/h4-9,17-18H,10H2,1-3H3,(H,20,21)/t17-,18-/m1/s1
InChIKey NGFJLPCUXWNRKW-QZTJIDSGSA-N
Molecular Weight 360.362 g/mol
SMILES [C@]1(OC=2C(O[C@@]1(COC)[H])=CC=C(C2)C(=O)O)(C=1C=C(OC)C(=CC1)OC)[H]