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Glutaric acid, di(tridec-2-ynyl) ester

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

Glutaric acid, di(tridec-2-ynyl) ester
SpectraBase Compound ID AHM3BzVfsGP
InChI InChI=1S/C31H52O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-34-30(32)26-25-27-31(33)35-29-24-22-20-18-16-14-12-10-8-6-4-2/h3-20,25-29H2,1-2H3
InChIKey WJYYNLNKYUALCD-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7STRMdamERN
Name Glutaric acid, di(tridec-2-ynyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-34-30(32)26-25-27-31(33)35-29-24-22-20-18-16-14-12-10-8-6-4-2/h3-20,25-29H2,1-2H3
InChIKey WJYYNLNKYUALCD-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES CCCCCCCCCCC#CCOC(CCCC(OCC#CCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962919