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3,4-Dimethoxyphenyl-PA-M13:0 [5-(3,4-Dimethoxyphenyl)tridecyl-N-methylpiperazinamide]
SpectraBase Compound ID I82AM3ik31M
InChI InChI=1S/C26H44N2O3/c1-27-18-20-28(21-19-27)26(29)15-13-11-9-7-5-4-6-8-10-12-14-23-16-17-24(30-2)25(22-23)31-3/h16-17,22H,4-15,18-21H2,1-3H3
InChIKey FRTFRCQFRJDSBX-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C26H44N2O3
Exact Mass 432.335193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEFXcJTA1Lk
Name 3,4-Dimethoxyphenyl-PA-M13:0 [5-(3,4-Dimethoxyphenyl)tridecyl-N-methylpiperazinamide]
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44N2O3
InChI InChI=1S/C26H44N2O3/c1-27-18-20-28(21-19-27)26(29)15-13-11-9-7-5-4-6-8-10-12-14-23-16-17-24(30-2)25(22-23)31-3/h16-17,22H,4-15,18-21H2,1-3H3
InChIKey FRTFRCQFRJDSBX-UHFFFAOYSA-N
Molecular Weight 432.649 g/mol
SMILES C(N1CCN(CC1)C)(=O)CCCCCCCCCCCCc1cc(OC)c(cc1)OC
SPLASH splash10-00di-9000300000-b919e2330b921ca85d91
Source of Spectrum E1-45-694-0
Synonyms 13-(3,4-dimethoxyphenyl)-1-(4-methyl-1-piperazinyl)-1-tridecanone 13-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
Wiley ID 1553802