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

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

Succinic acid, hex-4-yn-3-yl propyl ester
SpectraBase Compound ID Bh5lxtLUdHi
InChI InChI=1S/C13H20O4/c1-4-7-11(6-3)17-13(15)9-8-12(14)16-10-5-2/h11H,5-6,8-10H2,1-3H3
InChIKey PZFIJLCZHBZGSE-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DAevp1HqM05
Name Succinic 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 240.136159120 u
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-4-7-11(6-3)17-13(15)9-8-12(14)16-10-5-2/h11H,5-6,8-10H2,1-3H3
InChIKey PZFIJLCZHBZGSE-UHFFFAOYSA-N
Molecular Weight 240.299 g/mol
SMILES C(OC(CC)C#CC)(CCC(OCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98229