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8-Heptadecenooic acid, pyrrolidide

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

8-Heptadecenooic acid, pyrrolidide
SpectraBase Compound ID LEWJnDEYuGL
InChI InChI=1S/C21H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)22-19-16-17-20-22/h9-10H,2-8,11-20H2,1H3/b10-9-
InChIKey PHNQADRWXAIAHP-KTKRTIGZSA-N
Mol Weight 321.5 g/mol
Molecular Formula C21H39NO
Exact Mass 321.303165 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2kGmMbpYwAz
Name 8-Heptadecenooic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.303164879 u
Formula C21H39NO
InChI InChI=1S/C21H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)22-19-16-17-20-22/h9-10H,2-8,11-20H2,1H3/b10-9-
InChIKey PHNQADRWXAIAHP-KTKRTIGZSA-N
Molecular Weight 321.549 g/mol
SMILES C1N(CCC1)C(CCCCCC\C=C/CCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93971