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Octadec-9-ynoic acid, dmox derivative

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

Octadec-9-ynoic acid, dmox derivative
SpectraBase Compound ID 7lXScwa6DVJ
InChI InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h4-10,13-20H2,1-3H3
InChIKey AANYKQDEQYHVLS-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 9A3RNrw36wb
Name Octadec-9-ynoic acid, dmox derivative
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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h4-10,13-20H2,1-3H3
InChIKey AANYKQDEQYHVLS-UHFFFAOYSA-N
Molecular Weight 333.560 g/mol
SMILES C(CC1=NC(C)(C)CO1)CCCCCC#CCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814018