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(14Z,17Z,20Z)-1-(5-methylol-1H-pyrrol-2-yl)tricosa-14,17,20-trien-1-one
SpectraBase Compound ID 85nRoR22yMb
InChI InChI=1S/C28H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)27-24-23-26(25-30)29-27/h3-4,6-7,9-10,23-24,29-30H,2,5,8,11-22,25H2,1H3/b4-3-,7-6-,10-9-
InChIKey IJHXVKCHMRCWOV-PDBXOOCHSA-N
Mol Weight 427.7 g/mol
Molecular Formula C28H45NO2
Exact Mass 427.34503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoYjm0Zza1z
Name (14Z,17Z,20Z)-1-(5-methylol-1H-pyrrol-2-yl)tricosa-14,17,20-trien-1-one
Alternate Name(s) (14Z,17Z,20Z)-1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]-1-tricosa-14,17,20-trienone (14Z,17Z,20Z)-1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]tricosa-14,17,20-trien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H45NO2
InChI InChI=1S/C28H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)27-24-23-26(25-30)29-27/h3-4,6-7,9-10,23-24,29-30H,2,5,8,11-22,25H2,1H3/b4-3-,7-6-,10-9-
InChIKey IJHXVKCHMRCWOV-PDBXOOCHSA-N
Molecular Weight 427.673 g/mol
SMILES [nH]1c(CO)ccc1C(=O)CCCCCCCCCCCC\C=C/C\C=C/C\C=C/CC
SPLASH splash10-000i-0900000000-5192a964a2cb332b64e6
Source of Spectrum F-53-338-8
Wiley ID 799816