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Hexadecan-1-one, 1-(2,4-dimethyl-3-pyrrolyl)-
SpectraBase Compound ID Bm1K1nP6VbC
InChI InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-19(2)18-23-20(22)3/h18,23H,4-17H2,1-3H3
InChIKey HSWMJELQKLZMIG-UHFFFAOYSA-N
Mol Weight 333.6 g/mol
Molecular Formula C22H39NO
Exact Mass 333.303165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MkrxQmOyO
Name 1-(2,4-Dimethyl-1H-pyrrol-3-yl)-1-hexadecanone
CAS Registry Number 57262-79-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H39NO
InChI InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-19(2)18-23-20(22)3/h18,23H,4-17H2,1-3H3
InChIKey HSWMJELQKLZMIG-UHFFFAOYSA-N
Molecular Weight 333.560 g/mol
SMILES [nH]1cc(c(c1C)C(=O)CCCCCCCCCCCCCCC)C
SPLASH splash10-00dr-1900000000-027fedace72834fd98bf
Source of Spectrum AD-0-2532-0
Synonyms 1-(2,4-dimethyl-1H-pyrrol-3-yl)hexadecan-1-one Hexadecan-1-one, 1-(2,4-dimethyl-3-pyrrolyl)-
Wiley ID 1430019