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Ethyl 3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)-4-(4-metoxyphenyl)-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 16ROcZA7Jbp
InChI InChI=1S/C22H21NO7/c1-4-28-22(25)18-17(15(10-23-18)12-5-7-13(26-2)8-6-12)14-9-16-20(30-11-29-16)21(27-3)19(14)24/h5-10,23-24H,4,11H2,1-3H3
InChIKey GQRILYUKHWUPKT-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 5iNMqaG2d0p
Name Ethyl 3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)-4-(4-metoxyphenyl)-1H-pyrrole-2-carboxylate
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO7
InChI InChI=1S/C22H21NO7/c1-4-28-22(25)18-17(15(10-23-18)12-5-7-13(26-2)8-6-12)14-9-16-20(30-11-29-16)21(27-3)19(14)24/h5-10,23-24H,4,11H2,1-3H3
InChIKey GQRILYUKHWUPKT-UHFFFAOYSA-N
Instrument Name Finnigan MAT-INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000099
Molecular Weight 411.410 g/mol
SMILES [nH]1cc(c(-c2c(c(c3c(c2)OCO3)OC)O)c1C(OCC)=O)-c1ccc(cc1)OC
SPLASH splash10-02t9-0009400000-258805ea107a0d76cc6f
Source of Spectrum U1-2020-SM139-6k
Wiley ID 1860501