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Ethyl 1-(4-tert-Butylbenzyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
SpectraBase Compound ID HMeTWJ0iNxw
InChI InChI=1S/C20H27NO2/c1-7-23-19(22)18-14(2)12-21(15(18)3)13-16-8-10-17(11-9-16)20(4,5)6/h8-12H,7,13H2,1-6H3
InChIKey ZLADDGZECVTDHW-UHFFFAOYSA-N
Mol Weight 313.44 g/mol
Molecular Formula C20H27NO2
Exact Mass 313.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2S1QipVnqn2
Name Ethyl 1-(4-tert-Butylbenzyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Alternate Name(s) Ethyl 1-(4-(tert-butyl)benzyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO2
InChI InChI=1S/C20H27NO2/c1-7-23-19(22)18-14(2)12-21(15(18)3)13-16-8-10-17(11-9-16)20(4,5)6/h8-12H,7,13H2,1-6H3
InChIKey ZLADDGZECVTDHW-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol202335p
Molecular Weight 313.441 g/mol
SMILES C(C)(C)(c1ccc(cc1)C[n]1c(c(c(c1)C)C(OCC)=O)C)C
SPLASH splash10-01ot-0904000000-78d6086fe6ab4a00cc03
Source of Spectrum A1-13-5608/SMS2-2u
Wiley ID 1753863