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4-Methoxyphenyl-PA-M13:0 [5-(4-Methoxyphenyl)tridecyl-N-methylpiperazinamide]
SpectraBase Compound ID Dd5BNTX8yVx
InChI InChI=1S/C25H42N2O2/c1-26-19-21-27(22-20-26)25(28)14-12-10-8-6-4-3-5-7-9-11-13-23-15-17-24(29-2)18-16-23/h15-18H,3-14,19-22H2,1-2H3
InChIKey IRTMKXCZEJWDOM-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H42N2O2
Exact Mass 402.324629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UiSNc7CpEo
Name 4-Methoxyphenyl-PA-M13:0 [5-(4-Methoxyphenyl)tridecyl-N-methylpiperazinamide]
Alternate Name(s) 13-(4-methoxyphenyl)-1-(4-methyl-1-piperazinyl)-1-tridecanone 13-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C25H42N2O2
InChI InChI=1S/C25H42N2O2/c1-26-19-21-27(22-20-26)25(28)14-12-10-8-6-4-3-5-7-9-11-13-23-15-17-24(29-2)18-16-23/h15-18H,3-14,19-22H2,1-2H3
InChIKey IRTMKXCZEJWDOM-UHFFFAOYSA-N
Molecular Weight 402.623 g/mol
SMILES C(N1CCN(CC1)C)(=O)CCCCCCCCCCCCc1ccc(cc1)OC
SPLASH splash10-0fk9-9000500000-2902534238fd31b22e58
Source of Spectrum E1-45-694-0
Wiley ID 1553804