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Adipic acid, ethyl 3-methylbut-3-enyl ester

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

Adipic acid, ethyl 3-methylbut-3-enyl ester
SpectraBase Compound ID H0YHgbmfDGF
InChI InChI=1S/C13H22O4/c1-4-16-12(14)7-5-6-8-13(15)17-10-9-11(2)3/h2,4-10H2,1,3H3
InChIKey CUAAYQHVUNRARX-UHFFFAOYSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3hhedPDEJCS
Name Adipic acid, ethyl 3-methylbut-3-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.151809184 u
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-16-12(14)7-5-6-8-13(15)17-10-9-11(2)3/h2,4-10H2,1,3H3
InChIKey CUAAYQHVUNRARX-UHFFFAOYSA-N
Molecular Weight 242.315 g/mol
SMILES C(CCCC(OCCC(C)=C)=O)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975898