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PA-M9:0 [5-(3,4-Methyldioxyphenyl)nonyl-N-methylpiperazinamide]
SpectraBase Compound ID 1AVeDQC7xL0
InChI InChI=1S/C21H32N2O3/c1-22-12-14-23(15-13-22)21(24)9-7-5-3-2-4-6-8-18-10-11-19-20(16-18)26-17-25-19/h10-11,16H,2-9,12-15,17H2,1H3
InChIKey CHYUOMTYQHTOKX-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C21H32N2O3
Exact Mass 360.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5K3ASEgQINj
Name PA-M9:0 [5-(3,4-Methyldioxyphenyl)nonyl-N-methylpiperazinamide]
Comments Less than 3 mono-isotopic peaks
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Formula C21H32N2O3
InChI InChI=1S/C21H32N2O3/c1-22-12-14-23(15-13-22)21(24)9-7-5-3-2-4-6-8-18-10-11-19-20(16-18)26-17-25-19/h10-11,16H,2-9,12-15,17H2,1H3
InChIKey CHYUOMTYQHTOKX-UHFFFAOYSA-N
Molecular Weight 360.498 g/mol
SMILES C(N1CCN(CC1)C)(=O)CCCCCCCCc1cc2OCOc2cc1
SPLASH splash10-0229-9006000000-284c22e8460862924192
Source of Spectrum E1-45-694-0
Synonyms 9-(1,3-benzodioxol-5-yl)-1-(4-methyl-1-piperazinyl)-1-nonanone 9-(1,3-benzodioxol-5-yl)-1-(4-methylpiperazin-1-yl)nonan-1-one
Wiley ID 1553820