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2,5-Dibenzoyl-1-cyclohexyl-pyrrole-3,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 98akKCWMVHT
InChI InChI=1S/C28H27NO6/c1-34-27(32)21-22(28(33)35-2)24(26(31)19-14-8-4-9-15-19)29(20-16-10-5-11-17-20)23(21)25(30)18-12-6-3-7-13-18/h3-4,6-9,12-15,20H,5,10-11,16-17H2,1-2H3
InChIKey NEKWLDRQROPJGJ-UHFFFAOYSA-N
Mol Weight 473.53 g/mol
Molecular Formula C28H27NO6
Exact Mass 473.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gx07pvHiz1Q
Name 2,5-Dibenzoyl-1-cyclohexyl-pyrrole-3,4-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 1-cyclohexyl-2,5-bis(phenylcarbonyl)pyrrole-3,4-dicarboxylate Dimethyl 2,5-dibenzoyl-1-cyclohexyl-pyrrole-3,4-dicarboxylate 2,5-Dibenzoyl-1-cyclohexylpyrrole-3,4-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27NO6
InChI InChI=1S/C28H27NO6/c1-34-27(32)21-22(28(33)35-2)24(26(31)19-14-8-4-9-15-19)29(20-16-10-5-11-17-20)23(21)25(30)18-12-6-3-7-13-18/h3-4,6-9,12-15,20H,5,10-11,16-17H2,1-2H3
InChIKey NEKWLDRQROPJGJ-UHFFFAOYSA-N
Molecular Weight 473.525 g/mol
SMILES c1(c(c(C(=O)c2ccccc2)[n](c1C(=O)c1ccccc1)C1CCCCC1)C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-0900200000-e1e7986825822e916a5c
Source of Spectrum J-61-4245-23
Wiley ID 1393655