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PA-C11:0 [5-(3,4-Methylenedioxyphenyl)undecylpyrrolidinamide]
SpectraBase Compound ID 1GyTr1TzzPq
InChI InChI=1S/C22H33NO3/c24-22(23-15-9-10-16-23)12-8-6-4-2-1-3-5-7-11-19-13-14-20-21(17-19)26-18-25-20/h13-14,17H,1-12,15-16,18H2
InChIKey OQSQVLPZDHXWPC-UHFFFAOYSA-N
Mol Weight 359.5 g/mol
Molecular Formula C22H33NO3
Exact Mass 359.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QL8IzsV42e
Name PA-C11:0 [5-(3,4-Methylenedioxyphenyl)undecylpyrrolidinamide]
Alternate Name(s) 11-(1,3-benzodioxol-5-yl)-1-(1-pyrrolidinyl)-1-undecanone 11-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylundecan-1-one 11-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-yl-undecan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C22H33NO3
InChI InChI=1S/C22H33NO3/c24-22(23-15-9-10-16-23)12-8-6-4-2-1-3-5-7-11-19-13-14-20-21(17-19)26-18-25-20/h13-14,17H,1-12,15-16,18H2
InChIKey OQSQVLPZDHXWPC-UHFFFAOYSA-N
Molecular Weight 359.510 g/mol
SMILES C(N1CCCC1)(=O)CCCCCCCCCCc1cc2OCOc2cc1
SPLASH splash10-08fr-0907000000-f674f0d91a3c7bad07ec
Source of Spectrum E1-45-694-0
Wiley ID 1553818