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Ethyl 3-(4-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)-4-phenyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 8Tu80cg3UwV
InChI InChI=1S/C21H19NO6/c1-3-26-21(24)17-16(14(10-22-17)12-7-5-4-6-8-12)13-9-15(25-2)19-20(18(13)23)28-11-27-19/h4-10,22-23H,3,11H2,1-2H3
InChIKey GIQRTPSROCEYTC-UHFFFAOYSA-N
Mol Weight 381.38 g/mol
Molecular Formula C21H19NO6
Exact Mass 381.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZTPmxTcxrV
Name Ethyl 3-(4-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)-4-phenyl-1H-pyrrole-2-carboxylate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO6
InChI InChI=1S/C21H19NO6/c1-3-26-21(24)17-16(14(10-22-17)12-7-5-4-6-8-12)13-9-15(25-2)19-20(18(13)23)28-11-27-19/h4-10,22-23H,3,11H2,1-2H3
InChIKey GIQRTPSROCEYTC-UHFFFAOYSA-N
Instrument Name Finnigan MAT-INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000099
Molecular Weight 381.384 g/mol
SMILES [nH]1cc(c(-c2c(c3c(c(c2)OC)OCO3)O)c1C(OCC)=O)-c1ccccc1
SPLASH splash10-001r-0009000000-cd574263ee67a37daacb
Source of Spectrum U1-2020-SM137-6e
Wiley ID 1860495