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Hydratropic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester

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

Hydratropic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester
SpectraBase Compound ID GQFH2wCVp1H
InChI InChI=1S/C19H24O2/c1-14(2)11-12-18(13-15(3)4)21-19(20)16(5)17-9-7-6-8-10-17/h6-10,15-16,18H,1,13H2,2-5H3
InChIKey XAUCKEXMIGASNZ-UHFFFAOYSA-N
Mol Weight 284.4 g/mol
Molecular Formula C19H24O2
Exact Mass 284.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DOGyGfMwCC4
Name Hydratropic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.177630011 u
Formula C19H24O2
InChI InChI=1S/C19H24O2/c1-14(2)11-12-18(13-15(3)4)21-19(20)16(5)17-9-7-6-8-10-17/h6-10,15-16,18H,1,13H2,2-5H3
InChIKey XAUCKEXMIGASNZ-UHFFFAOYSA-N
SMILES C1=C(C=CC=C1)C(C(=O)OC(CC(C)C)C#CC(C)=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955282