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9,12-Heptadecadienoic acid, pyrrolidide

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

9,12-Heptadecadienoic acid, pyrrolidide
SpectraBase Compound ID 2CSsT4gTJao
InChI InChI=1S/C21H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)22-19-16-17-20-22/h5-6,8-9H,2-4,7,10-20H2,1H3/b6-5-,9-8-
InChIKey PLXBEZFQMOLRQF-AFJQJTPPSA-N
Mol Weight 319.5 g/mol
Molecular Formula C21H37NO
Exact Mass 319.287515 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7cFF3nMH0aj
Name 9,12-Heptadecadienoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.287514814 u
Formula C21H37NO
InChI InChI=1S/C21H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)22-19-16-17-20-22/h5-6,8-9H,2-4,7,10-20H2,1H3/b6-5-,9-8-
InChIKey PLXBEZFQMOLRQF-AFJQJTPPSA-N
Molecular Weight 319.533 g/mol
SMILES C1N(CCC1)C(CCCCCCC\C=C/C\C=C/CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879332