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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 86Cyyt7Vb0q
Name Benzyl-3,5-dimethyl-4-octyl-2-pyrrole-carboxylate
CAS Registry Number 113998-88-2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. 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
Instrument Name SF = 400 MHz
Literature Reference J. Org. Chem. 53, 2787 (1988).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3