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N-( 5,9-Tricosadienoyl)-pyrrolidine

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

N-( 5,9-Tricosadienoyl)-pyrrolidine
SpectraBase Compound ID GjxzvbS0DXW
InChI InChI=1S/C27H49NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27(29)28-25-22-23-26-28/h14-15,18-19H,2-13,16-17,20-26H2,1H3/b15-14+,19-18+
InChIKey UKFNTZXSNUKRBR-HOTZHUKSSA-N
Mol Weight 403.7 g/mol
Molecular Formula C27H49NO
Exact Mass 403.381415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7oMKwICwmR0
Name N-( 5,9-Tricosadienoyl)-pyrrolidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.381415201 u
Formula C27H49NO
InChI InChI=1S/C27H49NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27(29)28-25-22-23-26-28/h14-15,18-19H,2-13,16-17,20-26H2,1H3/b15-14+,19-18+
InChIKey UKFNTZXSNUKRBR-HOTZHUKSSA-N
Molecular Weight 403.695 g/mol
SMILES C1N(CCC1)C(CCC\C=C\CC\C=C\CCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832087