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Ethyl 1-allyl-4-benzoyl-5-methyl-2-propyl-1H-pyrrole-3-carboxylate
SpectraBase Compound ID KMckZ0ASvlu
InChI InChI=1S/C21H25NO3/c1-5-11-17-19(21(24)25-7-3)18(15(4)22(17)14-6-2)20(23)16-12-9-8-10-13-16/h6,8-10,12-13H,2,5,7,11,14H2,1,3-4H3
InChIKey OWAOWXDQGAMIBH-UHFFFAOYSA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxRVcPbXuCv
Name Ethyl 1-allyl-4-benzoyl-5-methyl-2-propyl-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-5-11-17-19(21(24)25-7-3)18(15(4)22(17)14-6-2)20(23)16-12-9-8-10-13-16/h6,8-10,12-13H,2,5,7,11,14H2,1,3-4H3
InChIKey OWAOWXDQGAMIBH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900379
Molecular Weight 339.435 g/mol
SMILES c1(C)c(c(c(CCC)[n]1CC=C)C(OCC)=O)C(=O)c1ccccc1
SPLASH splash10-0006-6394000000-b49e423611dfa18af813
Source of Spectrum ASC-351-2063/SM8-3el
Wiley ID 1763393