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Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

View entire compound with spectra: 1 FTIR

Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester
SpectraBase Compound ID 4Rh5KkTcC3g
InChI InChI=1S/C14H22O2/c1-6-7-14(15)16-13(10-12(4)5)9-8-11(2)3/h12-13H,2,6-7,10H2,1,3-5H3
InChIKey LEJKEOGIMLHRRZ-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8xxLFkckSeA
Name Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.161979946 u
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-6-7-14(15)16-13(10-12(4)5)9-8-11(2)3/h12-13H,2,6-7,10H2,1,3-5H3
InChIKey LEJKEOGIMLHRRZ-UHFFFAOYSA-N
Molecular Weight 222.328 g/mol
SMILES CCCC(OC(CC(C)C)C#CC(=C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888422