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3,4-Dimethoxyphenyl-PA-C13:0 [5-(3,4-Dimethoxyphenyl)tridecylpyrrolidinamide]
SpectraBase Compound ID 9gXOnCxJ7Ad
InChI InChI=1S/C25H41NO3/c1-28-23-18-17-22(21-24(23)29-2)15-11-9-7-5-3-4-6-8-10-12-16-25(27)26-19-13-14-20-26/h17-18,21H,3-16,19-20H2,1-2H3
InChIKey XSFCOQRTHBFEBO-UHFFFAOYSA-N
Mol Weight 403.6 g/mol
Molecular Formula C25H41NO3
Exact Mass 403.308644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLwYwNlMEg7
Name 3,4-Dimethoxyphenyl-PA-C13:0 [5-(3,4-Dimethoxyphenyl)tridecylpyrrolidinamide]
Alternate Name(s) 13-(3,4-dimethoxyphenyl)-1-(1-pyrrolidinyl)-1-tridecanone 13-(3,4-dimethoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one 13-(3,4-dimethoxyphenyl)-1-pyrrolidin-1-yl-tridecan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C25H41NO3
InChI InChI=1S/C25H41NO3/c1-28-23-18-17-22(21-24(23)29-2)15-11-9-7-5-3-4-6-8-10-12-16-25(27)26-19-13-14-20-26/h17-18,21H,3-16,19-20H2,1-2H3
InChIKey XSFCOQRTHBFEBO-UHFFFAOYSA-N
Molecular Weight 403.607 g/mol
SMILES C(N1CCCC1)(=O)CCCCCCCCCCCCc1cc(OC)c(cc1)OC
SPLASH splash10-0ik9-0900600000-85745ac5439f856c4355
Source of Spectrum E1-45-694-0
Wiley ID 1553803