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11-Phenyl-undecanoic acid, pyrrolidide

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

11-Phenyl-undecanoic acid, pyrrolidide
SpectraBase Compound ID JYhmz79i1f9
InChI InChI=1S/C21H33NO/c23-21(22-18-12-13-19-22)17-11-6-4-2-1-3-5-8-14-20-15-9-7-10-16-20/h7,9-10,15-16H,1-6,8,11-14,17-19H2
InChIKey FTQVMDJOQBRGSY-UHFFFAOYSA-N
Mol Weight 315.5 g/mol
Molecular Formula C21H33NO
Exact Mass 315.256215 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CEMHiO8TK0
Name 11-Phenyl-undecanoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.256214686 u
Formula C21H33NO
InChI InChI=1S/C21H33NO/c23-21(22-18-12-13-19-22)17-11-6-4-2-1-3-5-8-14-20-15-9-7-10-16-20/h7,9-10,15-16H,1-6,8,11-14,17-19H2
InChIKey FTQVMDJOQBRGSY-UHFFFAOYSA-N
Molecular Weight 315.501 g/mol
SMILES C1(=CC=CC=C1)CCCCCCCCCCC(N1CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923712