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PA-M15:0 [5-(3,4-Methylenedioxyphenyl)pentadecyl-N-methyl-piperazinamide]
SpectraBase Compound ID JFOTRRqYTYx
InChI InChI=1S/C27H44N2O3/c1-28-18-20-29(21-19-28)27(30)15-13-11-9-7-5-3-2-4-6-8-10-12-14-24-16-17-25-26(22-24)32-23-31-25/h16-17,22H,2-15,18-21,23H2,1H3
InChIKey VZJNAPFKVNWCTN-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C27H44N2O3
Exact Mass 444.335193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9Z2reqdTEw
Name PA-M15:0 [5-(3,4-Methylenedioxyphenyl)pentadecyl-N-methyl-piperazinamide]
Comments Less than 3 mono-isotopic peaks
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Formula C27H44N2O3
InChI InChI=1S/C27H44N2O3/c1-28-18-20-29(21-19-28)27(30)15-13-11-9-7-5-3-2-4-6-8-10-12-14-24-16-17-25-26(22-24)32-23-31-25/h16-17,22H,2-15,18-21,23H2,1H3
InChIKey VZJNAPFKVNWCTN-UHFFFAOYSA-N
Molecular Weight 444.660 g/mol
SMILES C(N1CCN(CC1)C)(=O)CCCCCCCCCCCCCCc1cc2OCOc2cc1
SPLASH splash10-00di-9000400000-43c8a03b1cf119569e8e
Source of Spectrum E1-45-694-0
Synonyms 15-(1,3-benzodioxol-5-yl)-1-(4-methyl-1-piperazinyl)-1-pentadecanone 15-(1,3-benzodioxol-5-yl)-1-(4-methylpiperazin-1-yl)pentadecan-1-one
Wiley ID 1553800