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isobutyl 5-hexyl-1-isobutyl-1H-pyrrole-2-carboxylate

View entire compound with spectra: 1 MS (GC)

isobutyl 5-hexyl-1-isobutyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 7FC09WfIvWg
InChI InChI=1S/C19H33NO2/c1-6-7-8-9-10-17-11-12-18(20(17)13-15(2)3)19(21)22-14-16(4)5/h11-12,15-16H,6-10,13-14H2,1-5H3
InChIKey PTTHKIJIUKPROA-UHFFFAOYSA-N
Mol Weight 307.5 g/mol
Molecular Formula C19H33NO2
Exact Mass 307.251129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZoGnWcrqsp
Name isobutyl 5-hexyl-1-isobutyl-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H33NO2
InChI InChI=1S/C19H33NO2/c1-6-7-8-9-10-17-11-12-18(20(17)13-15(2)3)19(21)22-14-16(4)5/h11-12,15-16H,6-10,13-14H2,1-5H3
InChIKey PTTHKIJIUKPROA-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4RA13094D
Molecular Weight 307.478 g/mol
SMILES c1c(CCCCCC)[n](CC(C)C)c(C(=O)OCC(C)C)c1
SPLASH splash10-0bu9-3961000000-ce77adfee2e3619957e2
Source of Spectrum RSA-5-4210/SM2-6eg
Wiley ID 1805564