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Ethyl 1-benzyl-5-octyl-1H-pyrrole-2-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl 1-benzyl-5-octyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID LHyG0UXkcPL
InChI InChI=1S/C22H31NO2/c1-3-5-6-7-8-12-15-20-16-17-21(22(24)25-4-2)23(20)18-19-13-10-9-11-14-19/h9-11,13-14,16-17H,3-8,12,15,18H2,1-2H3
InChIKey YEHSJSWVANXFDO-UHFFFAOYSA-N
Mol Weight 341.5 g/mol
Molecular Formula C22H31NO2
Exact Mass 341.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aa917it4h9P
Name Ethyl 1-benzyl-5-octyl-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO2
InChI InChI=1S/C22H31NO2/c1-3-5-6-7-8-12-15-20-16-17-21(22(24)25-4-2)23(20)18-19-13-10-9-11-14-19/h9-11,13-14,16-17H,3-8,12,15,18H2,1-2H3
InChIKey YEHSJSWVANXFDO-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4RA13094D
Molecular Weight 341.495 g/mol
SMILES c1c(CCCCCCCC)[n](Cc2ccccc2)c(C(=O)OCC)c1
SPLASH splash10-0006-9212000000-154de3dbe78bc3a5aff6
Source of Spectrum RSA-5-4210/SM2-6ba
Wiley ID 1805560