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2-Benzoyl-1-cyclohexyl-pyrrole-3,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 5Go2Nr6y8NI
InChI InChI=1S/C21H23NO5/c1-26-20(24)16-13-22(15-11-7-4-8-12-15)18(17(16)21(25)27-2)19(23)14-9-5-3-6-10-14/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3
InChIKey JGEGROUOPYCCTM-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOQ7ke3EMB7
Name 2-Benzoyl-1-cyclohexyl-pyrrole-3,4-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-26-20(24)16-13-22(15-11-7-4-8-12-15)18(17(16)21(25)27-2)19(23)14-9-5-3-6-10-14/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3
InChIKey JGEGROUOPYCCTM-UHFFFAOYSA-N
Molecular Weight 369.417 g/mol
SMILES c1(c(c[n](c1C(=O)c1ccccc1)C1CCCCC1)C(=O)OC)C(=O)OC
SPLASH splash10-052r-0119000000-2cffe5b182a15fa488fc
Source of Spectrum J-61-4245-25
Synonyms Dimethyl 1-cyclohexyl-2-(phenylcarbonyl)pyrrole-3,4-dicarboxylate Dimethyl 2-benzoyl-1-cyclohexyl-pyrrole-3,4-dicarboxylate 2-Benzoyl-1-cyclohexylpyrrole-3,4-dicarboxylic acid dimethyl ester
Wiley ID 1353740