For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
PA-C13:2 [5-(3,4-Methylenedioxyphenyl)-(2E,12E)-tridecadienylpyrrolidinamide]
SpectraBase Compound ID 4zjMUhxrar4
InChI InChI=1S/C24H33NO3/c26-24(25-17-11-12-18-25)14-10-8-6-4-2-1-3-5-7-9-13-21-15-16-22-23(19-21)28-20-27-22/h9-10,13-16,19H,1-8,11-12,17-18,20H2/b13-9+,14-10+
InChIKey CJQLRYFEZFXBCL-UTLPMFLDSA-N
Mol Weight 383.5 g/mol
Molecular Formula C24H33NO3
Exact Mass 383.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AePhekRkoXG
Name PA-C13:2 [5-(3,4-Methylenedioxyphenyl)-(2E,12E)-tridecadienylpyrrolidinamide]
Alternate Name(s) (2E,12E)-13-(1,3-benzodioxol-5-yl)-1-(1-pyrrolidinyl)-1-trideca-2,12-dienone (2E,12E)-13-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-yltrideca-2,12-dien-1-one (2E,12E)-13-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-yl-trideca-2,12-dien-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33NO3
InChI InChI=1S/C24H33NO3/c26-24(25-17-11-12-18-25)14-10-8-6-4-2-1-3-5-7-9-13-21-15-16-22-23(19-21)28-20-27-22/h9-10,13-16,19H,1-8,11-12,17-18,20H2/b13-9+,14-10+
InChIKey CJQLRYFEZFXBCL-UTLPMFLDSA-N
Molecular Weight 383.532 g/mol
SMILES C(N1CCCC1)(\C=C\CCCCCCCC\C=C\c1cc2OCOc2cc1)=O
SPLASH splash10-0ue9-0907000000-46b622543b65eec9f746
Source of Spectrum E1-45-694-0
Wiley ID 1553810