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Ethyl 5-cyclohexyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 5UnCwHan16Q
InChI InChI=1S/C20H25NO2/c1-3-23-20(22)19-17(15-10-6-4-7-11-15)14(2)18(21-19)16-12-8-5-9-13-16/h4,6-7,10-11,16,21H,3,5,8-9,12-13H2,1-2H3
InChIKey KOVLCTFTZAKIJT-UHFFFAOYSA-N
Mol Weight 311.43 g/mol
Molecular Formula C20H25NO2
Exact Mass 311.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4a9z3tVNx6Z
Name Ethyl 5-cyclohexyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylate
Alternate Name(s) 1H-Pyrrole-2-carboxylic acid, 5-cyclohexyl-4-methyl-3-phenyl-, ethyl ester 5-cyclohexyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester
CAS Registry Number 80765-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO2
InChI InChI=1S/C20H25NO2/c1-3-23-20(22)19-17(15-10-6-4-7-11-15)14(2)18(21-19)16-12-8-5-9-13-16/h4,6-7,10-11,16,21H,3,5,8-9,12-13H2,1-2H3
InChIKey KOVLCTFTZAKIJT-UHFFFAOYSA-N
Molecular Weight 311.425 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)-c1ccccc1)C)C1CCCCC1
SPLASH splash10-03di-2985000000-c53680ff751f9a2112ab
Source of Spectrum HE-1982-0-0
Wiley ID 1312645