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9,10-Methylene-octadec-9-enoic acid, pyrrolidide

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

9,10-Methylene-octadec-9-enoic acid, pyrrolidide
SpectraBase Compound ID BwZ16YJ3b3S
InChI InChI=1S/C23H41NO/c1-2-3-4-5-7-10-15-21-20-22(21)16-11-8-6-9-12-17-23(25)24-18-13-14-19-24/h2-20H2,1H3
InChIKey NTBGZPFQDVLPEI-UHFFFAOYSA-N
Mol Weight 347.6 g/mol
Molecular Formula C23H41NO
Exact Mass 347.318815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BjTvscB0YEs
Name 9,10-Methylene-octadec-9-enoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.318814943 u
Formula C23H41NO
InChI InChI=1S/C23H41NO/c1-2-3-4-5-7-10-15-21-20-22(21)16-11-8-6-9-12-17-23(25)24-18-13-14-19-24/h2-20H2,1H3
InChIKey NTBGZPFQDVLPEI-UHFFFAOYSA-N
Molecular Weight 347.587 g/mol
SMILES C(N1CCCC1)(CCCCCCCC1=C(CCCCCCCC)C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92687