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tert-Butyl 4-(hex-1-ynyl)-2-p-tolyl-1H-pyrrole-1-carboxylate
SpectraBase Compound ID 9YmwNV7cZYx
InChI InChI=1S/C22H27NO2/c1-6-7-8-9-10-18-15-20(19-13-11-17(2)12-14-19)23(16-18)21(24)25-22(3,4)5/h11-16H,6-8H2,1-5H3
InChIKey NZRFSPHTFSTCHD-UHFFFAOYSA-N
Mol Weight 337.46 g/mol
Molecular Formula C22H27NO2
Exact Mass 337.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pDbVdEJcya
Name tert-Butyl 4-(hex-1-ynyl)-2-p-tolyl-1H-pyrrole-1-carboxylate
Alternate Name(s) tert-Butyl 4-(hex-1-yn-1-yl)-2-(p-tolyl)-1H-pyrrole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO2
InChI InChI=1S/C22H27NO2/c1-6-7-8-9-10-18-15-20(19-13-11-17(2)12-14-19)23(16-18)21(24)25-22(3,4)5/h11-16H,6-8H2,1-5H3
InChIKey NZRFSPHTFSTCHD-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol900581a
Molecular Weight 337.463 g/mol
SMILES c1c(-c2ccc(cc2)C)[n](C(=O)OC(C)(C)C)cc1C#CCCCC
SPLASH splash10-0a4i-9000000000-0bc3800e2f66bb30c525
Source of Spectrum A1-11-2269/SM24-6a
Wiley ID 1756786