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

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

Succinic acid, tridec-2-yn-1-yl but-3-en-1-yl ester
SpectraBase Compound ID LKaAVhcPXwv
InChI InChI=1S/C21H34O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-20(22)24-18-6-4-2/h4H,2-3,5-13,16-19H2,1H3
InChIKey USUISHYOGIAJQX-UHFFFAOYSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HaZuBxtWnRD
Name Succinic acid, tridec-2-yn-1-yl but-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 350.245709571 u
Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-20(22)24-18-6-4-2/h4H,2-3,5-13,16-19H2,1H3
InChIKey USUISHYOGIAJQX-UHFFFAOYSA-N
Molecular Weight 350.499 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OCCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861821