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1,4-Benzodioxin-2-carboxylic acid, 3-(3,4-dimethoxyphenyl)-6-formyl-2,3-dihydro-, ethyl ester, trans-(.+-.)-
SpectraBase Compound ID B4gL4YCMQN0
InChI InChI=1S/C20H20O7/c1-4-25-20(22)19-18(13-6-8-14(23-2)16(10-13)24-3)27-17-9-12(11-21)5-7-15(17)26-19/h5-11,18-19H,4H2,1-3H3/t18-,19+/m1/s1
InChIKey QFNWDQRXTGEKAE-MOPGFXCFSA-N
Mol Weight 372.37 g/mol
Molecular Formula C20H20O7
Exact Mass 372.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPFinAYpjw6
Name 1,4-Benzodioxin-2-carboxylic acid, 3-(3,4-dimethoxyphenyl)-6-formyl-2,3-dihydro-, ethyl ester, trans-(.+-.)-
Alternate Name(s) 3t-(3,4-dimethoxyphenyl)-6-formyl-2,3-dihydro-1,4-benzodioxin-2R-carboxylic acid ethyl ester Ethyl (2S,3R)-3-(3,4-dimethoxyphenyl)-6-formyl-2,3-dihydro-1,4-benzodioxin-2-carboxylate
CAS Registry Number 65479-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O7
InChI InChI=1S/C20H20O7/c1-4-25-20(22)19-18(13-6-8-14(23-2)16(10-13)24-3)27-17-9-12(11-21)5-7-15(17)26-19/h5-11,18-19H,4H2,1-3H3/t18-,19+/m1/s1
InChIKey QFNWDQRXTGEKAE-MOPGFXCFSA-N
Molecular Weight 372.373 g/mol
SMILES [C@]1(Oc2ccc(cc2O[C@@]1(c1cc(OC)c(cc1)OC)[H])C=O)(C(=O)OCC)[H]
SPLASH splash10-0fg2-6963000000-5ca808ee58b91826df3f
Source of Spectrum K-110-3670-0
Wiley ID 1355390