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Adipic acid, hex-4-yn-3-yl propyl ester

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

Adipic acid, hex-4-yn-3-yl propyl ester
SpectraBase Compound ID 2vtguTP2ULn
InChI InChI=1S/C15H24O4/c1-4-9-13(6-3)19-15(17)11-8-7-10-14(16)18-12-5-2/h13H,5-8,10-12H2,1-3H3
InChIKey GFIBLJDJBPRSFR-UHFFFAOYSA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HuLXnw4H6Rv
Name Adipic acid, hex-4-yn-3-yl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.167459249 u
Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-4-9-13(6-3)19-15(17)11-8-7-10-14(16)18-12-5-2/h13H,5-8,10-12H2,1-3H3
InChIKey GFIBLJDJBPRSFR-UHFFFAOYSA-N
Molecular Weight 268.353 g/mol
SMILES C(=O)(CCCCC(OCCC)=O)OC(C#CC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948708