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Succinic acid, tridec-2-yn-1-yl 3-methylbut-3-en-1-yl ester

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

Succinic acid, tridec-2-yn-1-yl 3-methylbut-3-en-1-yl ester
SpectraBase Compound ID BoTnuJEbRh4
InChI InChI=1S/C22H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-25-21(23)15-16-22(24)26-19-17-20(2)3/h2,4-12,15-19H2,1,3H3
InChIKey PQFBRZDDXAANQT-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8VNlG7SiN5O
Name Succinic acid, tridec-2-yn-1-yl 3-methylbut-3-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.261359635 u
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-25-21(23)15-16-22(24)26-19-17-20(2)3/h2,4-12,15-19H2,1,3H3
InChIKey PQFBRZDDXAANQT-UHFFFAOYSA-N
Molecular Weight 364.526 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OCCC(C)=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929889