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DIMETHYL-2-(5-BENZYLOXY-1-CARBOMETHOXY-1H-INDOL-3-YL)-MALONATE

View entire compound with spectra: 1 NMR, and 2 MS (GC)

DIMETHYL-2-(5-BENZYLOXY-1-CARBOMETHOXY-1H-INDOL-3-YL)-MALONATE
SpectraBase Compound ID 1NjlXCggLLj
InChI InChI=1S/C22H21NO7/c1-27-20(24)19(21(25)28-2)17-12-23(22(26)29-3)18-10-9-15(11-16(17)18)30-13-14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3
InChIKey DKNXQHWMAKAPEY-UHFFFAOYSA-N
Mol Weight 411.41 g/mol
Molecular Formula C22H21NO7
Exact Mass 411.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JsuDd7o2Wb
Name 2-(1-Methoxycarbonyl-5-phenylmethoxy-3-indolyl)propanedioic acid dimethyl ester
Alternate Name(s) 2-(5-benzoxy-1-carbomethoxy-indol-3-yl)malonic acid dimethyl ester Dimethyl 2-(1-methoxycarbonyl-5-phenylmethoxy-indol-3-yl)propanedioate Dimethyl 2-(5-benzyloxy-1-methoxycarbonyl-indol-3-yl)propanedioate
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Formula C22H21NO7
InChI InChI=1S/C22H21NO7/c1-27-20(24)19(21(25)28-2)17-12-23(22(26)29-3)18-10-9-15(11-16(17)18)30-13-14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3
InChIKey DKNXQHWMAKAPEY-UHFFFAOYSA-N
Molecular Weight 411.410 g/mol
SMILES C(C(C(=O)OC)c1c[n](c2c1cc(cc2)OCc1ccccc1)C(=O)OC)(=O)OC
SPLASH splash10-03k9-3007900000-8bc5551bc4b0003a9c2e
Source of Spectrum F-68-311-2
Wiley ID 1571540