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2-(1-Butyl-4-ethyl-1H-pyrrol-2-yl)hexanoic acid methyl ester
SpectraBase Compound ID AXp3zNVRuR1
InChI InChI=1S/C17H29NO2/c1-5-8-10-15(17(19)20-4)16-12-14(7-3)13-18(16)11-9-6-2/h12-13,15H,5-11H2,1-4H3
InChIKey KVGWIMAKQZEJCD-UHFFFAOYSA-N
Mol Weight 279.42 g/mol
Molecular Formula C17H29NO2
Exact Mass 279.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJLSuPMGwda
Name 2-(1-Butyl-4-ethyl-1H-pyrrol-2-yl)hexanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29NO2
InChI InChI=1S/C17H29NO2/c1-5-8-10-15(17(19)20-4)16-12-14(7-3)13-18(16)11-9-6-2/h12-13,15H,5-11H2,1-4H3
InChIKey KVGWIMAKQZEJCD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200606085
Molecular Weight 279.424 g/mol
SMILES C(C(CCCC)c1[n](cc(c1)CC)CCCC)(=O)OC
SPLASH splash10-00di-0490000000-9dd1159574856ed9962b
Source of Spectrum ASC-348-2212/SM4-2a
Synonyms Methyl 2-(1-butyl-4-ethyl-1H-pyrrol-2-yl)hexanoate 2-(1-butyl-4-ethyl-2-pyrrolyl)hexanoic acid methyl ester Methyl 2-(1-butyl-4-ethylpyrrol-2-yl)hexanoate Methyl 2-(1-butyl-4-ethyl-pyrrol-2-yl)hexanoate
Wiley ID 1764988