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(12Z,15Z,18Z)-1-(5-methylol-1H-pyrrol-2-yl)heneicosa-12,15,18-trien-1-one
SpectraBase Compound ID GOSSVlaCW9y
InChI InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)25-22-21-24(23-28)27-25/h3-4,6-7,9-10,21-22,27-28H,2,5,8,11-20,23H2,1H3/b4-3-,7-6-,10-9-
InChIKey WFLSDTFWSRCRMF-PDBXOOCHSA-N
Mol Weight 399.6 g/mol
Molecular Formula C26H41NO2
Exact Mass 399.31373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65hQqOuFBp6
Name (12Z,15Z,18Z)-1-(5-methylol-1H-pyrrol-2-yl)heneicosa-12,15,18-trien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H41NO2
InChI InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)25-22-21-24(23-28)27-25/h3-4,6-7,9-10,21-22,27-28H,2,5,8,11-20,23H2,1H3/b4-3-,7-6-,10-9-
InChIKey WFLSDTFWSRCRMF-PDBXOOCHSA-N
Molecular Weight 399.619 g/mol
SMILES [nH]1c(CO)ccc1C(=O)CCCCCCCCCC\C=C/C\C=C/C\C=C/CC
SPLASH splash10-000i-0900000000-aa5c81f490b73e77dad8
Source of Spectrum F-53-337-2
Synonyms (12Z,15Z,18Z)-1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]-1-heneicosa-12,15,18-trienone (12Z,15Z,18Z)-1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]henicosa-12,15,18-trien-1-one
Wiley ID 799822