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8,9-Methylene-heptadec-8-enoic acid, pyrrolidide

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

8,9-Methylene-heptadec-8-enoic acid, pyrrolidide
SpectraBase Compound ID 216nmlLVQrx
InChI InChI=1S/C22H39NO/c1-2-3-4-5-6-9-14-20-19-21(20)15-10-7-8-11-16-22(24)23-17-12-13-18-23/h2-19H2,1H3
InChIKey VIIDKKUEBAKNSN-UHFFFAOYSA-N
Mol Weight 333.6 g/mol
Molecular Formula C22H39NO
Exact Mass 333.303165 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3xt0EXDMKYA
Name 8,9-Methylene-heptadec-8-enoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.303164879 u
Formula C22H39NO
InChI InChI=1S/C22H39NO/c1-2-3-4-5-6-9-14-20-19-21(20)15-10-7-8-11-16-22(24)23-17-12-13-18-23/h2-19H2,1H3
InChIKey VIIDKKUEBAKNSN-UHFFFAOYSA-N
Molecular Weight 333.560 g/mol
SMILES C(N1CCCC1)(CCCCCCC1=C(CCCCCCCC)C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921226