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15-Docosenoic acid, pyrrolidide

View entire compound with spectra: 1 NMR, and 1 FTIR

15-Docosenoic acid, pyrrolidide
SpectraBase Compound ID 8Cw9ghmDPus
InChI InChI=1S/C26H49NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h7-8H,2-6,9-25H2,1H3/b8-7-
InChIKey XIJSDAWJUGDSRE-FPLPWBNLSA-N
Mol Weight 391.7 g/mol
Molecular Formula C26H49NO
Exact Mass 391.381415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DVg18EOyi4
Name 15-Docosenoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.381415201 u
Formula C26H49NO
InChI InChI=1S/C26H49NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h7-8H,2-6,9-25H2,1H3/b8-7-
InChIKey XIJSDAWJUGDSRE-FPLPWBNLSA-N
Molecular Weight 391.684 g/mol
SMILES C(N1CCCC1)(CCCCCCCCCCCCC\C=C/CCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879009