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6-[2-(1,4,5-trimethoxy-3-oxo-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carboxylic acid methyl ester
SpectraBase Compound ID HTDg1PTmWTs
InChI InChI=1S/C22H23NO8/c1-26-15-6-5-13-18(19(15)27-2)20(24)23(21(13)28-3)8-7-12-9-16-17(31-11-30-16)10-14(12)22(25)29-4/h5-6,9-10,21H,7-8,11H2,1-4H3
InChIKey NATLVVMKIALUNJ-UHFFFAOYSA-N
Mol Weight 429.43 g/mol
Molecular Formula C22H23NO8
Exact Mass 429.142367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlSpVXWG4W2
Name 6-[2-(1,4,5-trimethoxy-3-oxo-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carboxylic acid methyl ester
Alternate Name(s) 6-[2-(3-keto-1,4,5-trimethoxy-isoindolin-2-yl)ethyl]-piperonylic acid methyl ester Methyl 6-[2-(1,4,5-trimethoxy-3-oxidanylidene-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carboxylate Methyl 6-[2-(1,4,5-trimethoxy-3-oxo-1H-isoindol-2-yl)ethyl]-1,3-benzodioxole-5-carboxylate Methyl 6-[2-(1,4,5-trimethoxy-3-oxo-isoindolin-2-yl)ethyl]-1,3-benzodioxole-5-carboxylate
CAS Registry Number 71700-24-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO8
InChI InChI=1S/C22H23NO8/c1-26-15-6-5-13-18(19(15)27-2)20(24)23(21(13)28-3)8-7-12-9-16-17(31-11-30-16)10-14(12)22(25)29-4/h5-6,9-10,21H,7-8,11H2,1-4H3
InChIKey NATLVVMKIALUNJ-UHFFFAOYSA-N
Molecular Weight 429.425 g/mol
SMILES C1(N(C(c2ccc(c(c12)OC)OC)OC)CCc1c(cc2c(c1)OCO2)C(=O)OC)=O
SPLASH splash10-0550-0189200000-9176ff0a45d01ffc178d
Source of Spectrum J-44-4350-0
Wiley ID 1381146