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

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

Succinic acid, hex-4-yn-3-yl 3-ethylphenyl ester
SpectraBase Compound ID 54G4wEsmfx3
InChI InChI=1S/C18H22O4/c1-4-8-15(6-3)21-17(19)11-12-18(20)22-16-10-7-9-14(5-2)13-16/h7,9-10,13,15H,5-6,11-12H2,1-3H3
InChIKey IZBQCAZYFGBUAN-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fnn7nx8RGs7
Name Succinic acid, hex-4-yn-3-yl 3-ethylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.151809184 u
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-4-8-15(6-3)21-17(19)11-12-18(20)22-16-10-7-9-14(5-2)13-16/h7,9-10,13,15H,5-6,11-12H2,1-3H3
InChIKey IZBQCAZYFGBUAN-UHFFFAOYSA-N
SMILES C(CC(OC(CC)C#CC)=O)C(OC1=CC(=CC=C1)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93693