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1-(5-Butyl-2-isopropyl-1H-pyrrol-3-yl)-hexan-1-one
SpectraBase Compound ID HVkh7fqlxwd
InChI InChI=1S/C17H29NO/c1-5-7-9-11-16(19)15-12-14(10-8-6-2)18-17(15)13(3)4/h12-13,18H,5-11H2,1-4H3
InChIKey ZGPDIRQKYIAVCX-UHFFFAOYSA-N
Mol Weight 263.42 g/mol
Molecular Formula C17H29NO
Exact Mass 263.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jfcr9BPmVNS
Name 1-(5-Butyl-2-isopropyl-1H-pyrrol-3-yl)-hexan-1-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.224914557 u
Formula C17H29NO
InChI InChI=1S/C17H29NO/c1-5-7-9-11-16(19)15-12-14(10-8-6-2)18-17(15)13(3)4/h12-13,18H,5-11H2,1-4H3
InChIKey ZGPDIRQKYIAVCX-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/jo400533j
Molecular Weight 263.425 g/mol
Quality 132
SMILES N1C(=C(C=C1CCCC)C(=O)CCCCC)C(C)C
SPLASH splash10-052f-0930000000-8684e5a76c60a5ee512d
Source of Spectrum JOC-78-4927-7n (DOI: 10.1021/jo400533j)
Wiley ID 1912151