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Succinic acid, ethyl non-5-yn-3-yl ester

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

Succinic acid, ethyl non-5-yn-3-yl ester
SpectraBase Compound ID 2Xp9PDA0xJA
InChI InChI=1S/C15H24O4/c1-4-7-8-9-10-13(5-2)19-15(17)12-11-14(16)18-6-3/h13H,4-7,10-12H2,1-3H3
InChIKey KSBXOLYWCDMCRR-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 GL5pCc13HMY
Name Succinic acid, ethyl non-5-yn-3-yl 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/c1-4-7-8-9-10-13(5-2)19-15(17)12-11-14(16)18-6-3/h13H,4-7,10-12H2,1-3H3
InChIKey KSBXOLYWCDMCRR-UHFFFAOYSA-N
Molecular Weight 268.353 g/mol
SMILES CCOC(CCC(OC(CC#CCCC)CC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96484