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Ethyl 5-(2-(4-chlorobenzyl)-5-methoxyphenyl)-1H-pyrrole-3-carboxylate
SpectraBase Compound ID 4j1OQzBfxsW
InChI InChI=1S/C21H20ClNO3/c1-3-26-21(24)16-11-20(23-13-16)19-12-18(25-2)9-6-15(19)10-14-4-7-17(22)8-5-14/h4-9,11-13,23H,3,10H2,1-2H3
InChIKey PEKBLURUEYEBJZ-UHFFFAOYSA-N
Mol Weight 369.85 g/mol
Molecular Formula C21H20ClNO3
Exact Mass 369.113171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2460vKlwXwz
Name Ethyl 5-(2-(4-chlorobenzyl)-5-methoxyphenyl)-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20ClNO3
InChI InChI=1S/C21H20ClNO3/c1-3-26-21(24)16-11-20(23-13-16)19-12-18(25-2)9-6-15(19)10-14-4-7-17(22)8-5-14/h4-9,11-13,23H,3,10H2,1-2H3
InChIKey PEKBLURUEYEBJZ-UHFFFAOYSA-N
Molecular Weight 369.848 g/mol
SMILES [nH]1c(cc(c1)C(=O)OCC)-c1c(ccc(c1)OC)Cc1ccc(cc1)Cl
SPLASH splash10-01b9-0029000000-40ab48584d57c9899e81
Source of Spectrum A1-18-852/SM31-S27
Wiley ID 1805225