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pa-C11:0 [5-(3,4-Methylenedioxyphenyl)undecylpyrrolidinamide]

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gypz60uIVAe
Name pa-C11:0 [5-(3,4-Methylenedioxyphenyl)undecylpyrrolidinamide]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.246043924 u
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)CCCCCCCCCCC1=CC=2OCOC2C=C1