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PA-C15:0 [5-(3,4-Methylenedioxyphenyl)pentadecylpyrrolidinamide]
SpectraBase Compound ID 38D512dH3lB
InChI InChI=1S/C26H41NO3/c28-26(27-19-13-14-20-27)16-12-10-8-6-4-2-1-3-5-7-9-11-15-23-17-18-24-25(21-23)30-22-29-24/h17-18,21H,1-16,19-20,22H2
InChIKey NGCWTKHKYSQUOK-UHFFFAOYSA-N
Mol Weight 415.6 g/mol
Molecular Formula C26H41NO3
Exact Mass 415.308644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRZHLahjKqW
Name PA-C15:0 [5-(3,4-Methylenedioxyphenyl)pentadecylpyrrolidinamide]
Alternate Name(s) 15-(1,3-benzodioxol-5-yl)-1-(1-pyrrolidinyl)-1-pentadecanone 15-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpentadecan-1-one 15-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-yl-pentadecan-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H41NO3
InChI InChI=1S/C26H41NO3/c28-26(27-19-13-14-20-27)16-12-10-8-6-4-2-1-3-5-7-9-11-15-23-17-18-24-25(21-23)30-22-29-24/h17-18,21H,1-16,19-20,22H2
InChIKey NGCWTKHKYSQUOK-UHFFFAOYSA-N
Molecular Weight 415.618 g/mol
SMILES C(N1CCCC1)(=O)CCCCCCCCCCCCCCc1cc2OCOc2cc1
SPLASH splash10-03di-0900300000-52a7f364424a8611ef56
Source of Spectrum E1-45-694-0
Wiley ID 1553801