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(13Z,16Z,19Z,22Z)-1-(5-methylol-1H-pyrrol-2-yl)pentacosa-13,16,19,22-tetraen-1-one
SpectraBase Compound ID 8zfcOUTdumq
InChI InChI=1S/C30H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)29-26-25-28(27-32)31-29/h3-4,6-7,9-10,12-13,25-26,31-32H,2,5,8,11,14-24,27H2,1H3/b4-3-,7-6-,10-9-,13-12-
InChIKey RGJXBYIYLHRFSV-LTKCOYKYSA-N
Mol Weight 453.7 g/mol
Molecular Formula C30H47NO2
Exact Mass 453.36068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AF6fWO3SGeH
Name (13Z,16Z,19Z,22Z)-1-(5-methylol-1H-pyrrol-2-yl)pentacosa-13,16,19,22-tetraen-1-one
Alternate Name(s) (13Z,16Z,19Z,22Z)-1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]-1-pentacosa-13,16,19,22-tetraenone (13Z,16Z,19Z,22Z)-1-[5-(hydroxymethyl)-1H-pyrrol-2-yl]pentacosa-13,16,19,22-tetraen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H47NO2
InChI InChI=1S/C30H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)29-26-25-28(27-32)31-29/h3-4,6-7,9-10,12-13,25-26,31-32H,2,5,8,11,14-24,27H2,1H3/b4-3-,7-6-,10-9-,13-12-
InChIKey RGJXBYIYLHRFSV-LTKCOYKYSA-N
Molecular Weight 453.711 g/mol
SMILES [nH]1c(CO)ccc1C(=O)CCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC
SPLASH splash10-0f79-0900500000-d1c383d739d97e1280bd
Source of Spectrum F-53-339-9
Wiley ID 799815