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3,4-Dimethoxyphenyl-PA-M15:0 [5-(3,4-Dimethoxyphenyl)pentadecyl-N-methylpiperazinamide]
SpectraBase Compound ID HSmHxkZh8WX
InChI InChI=1S/C28H48N2O3/c1-29-20-22-30(23-21-29)28(31)17-15-13-11-9-7-5-4-6-8-10-12-14-16-25-18-19-26(32-2)27(24-25)33-3/h18-19,24H,4-17,20-23H2,1-3H3
InChIKey ULNDKUMIQRTHBL-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C28H48N2O3
Exact Mass 460.366493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ICaxlA9A0X
Name 3,4-Dimethoxyphenyl-PA-M15:0 [5-(3,4-Dimethoxyphenyl)pentadecyl-N-methylpiperazinamide]
Alternate Name(s) 15-(3,4-dimethoxyphenyl)-1-(4-methyl-1-piperazinyl)-1-pentadecanone 15-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)pentadecan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C28H48N2O3
InChI InChI=1S/C28H48N2O3/c1-29-20-22-30(23-21-29)28(31)17-15-13-11-9-7-5-4-6-8-10-12-14-16-25-18-19-26(32-2)27(24-25)33-3/h18-19,24H,4-17,20-23H2,1-3H3
InChIKey ULNDKUMIQRTHBL-UHFFFAOYSA-N
Molecular Weight 460.703 g/mol
SMILES C(N1CCN(CC1)C)(=O)CCCCCCCCCCCCCCc1cc(OC)c(cc1)OC
SPLASH splash10-0w29-0800900000-ece4c5a9aaca5d845f1d
Source of Spectrum E1-45-694-0
Wiley ID 1553794