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Benzyl-3,5-dimethyl-4-octyl-2-pyrrole-carboxylate

View entire compound with spectra: 2 NMR

Benzyl-3,5-dimethyl-4-octyl-2-pyrrole-carboxylate
SpectraBase Compound ID HnmSaaN6Zxj
InChI InChI=1S/C22H31NO2/c1-4-5-6-7-8-12-15-20-17(2)21(23-18(20)3)22(24)25-16-19-13-10-9-11-14-19/h9-11,13-14,23H,4-8,12,15-16H2,1-3H3
InChIKey HKGJJVAFZGWYEW-UHFFFAOYSA-N
Mol Weight 341.5 g/mol
Molecular Formula C22H31NO2
Exact Mass 341.235479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID cPvYAZKvWE
Name BENZYL-3,5-DIMETHYL-4-OCTYL-2-PYRROLE-CARBOXYLATE
CAS Registry Number 113998-88-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NO2
InChI InChI=1S/C22H31NO2/c1-4-5-6-7-8-12-15-20-17(2)21(23-18(20)3)22(24)25-16-19-13-10-9-11-14-19/h9-11,13-14,23H,4-8,12,15-16H2,1-3H3
InChIKey HKGJJVAFZGWYEW-UHFFFAOYSA-N
Literature Reference Author J.B.PAINE,D.DOLPHIN
Literature Reference Citation J.ORG.CHEM.,53,2787(1988)
Literature Reference DOI 10.1021/jo00247a024
Molecular Weight 341.494 g/mol
Solvent CDCl3
Source File Reference UNIW20836