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Succinic acid, isobutyl pent-4-enyl ester

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

Succinic acid, isobutyl pent-4-enyl ester
SpectraBase Compound ID Ag1smQT1VMy
InChI InChI=1S/C13H22O4/c1-4-5-6-9-16-12(14)7-8-13(15)17-10-11(2)3/h4,11H,1,5-10H2,2-3H3
InChIKey FMNNPNJHLZSGMJ-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 5bQxqDTiwI4
Name Succinic acid, isobutyl pent-4-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/c1-4-5-6-9-16-12(14)7-8-13(15)17-10-11(2)3/h4,11H,1,5-10H2,2-3H3
InChIKey FMNNPNJHLZSGMJ-UHFFFAOYSA-N
Molecular Weight 242.315 g/mol
SMILES C=CCCCOC(CCC(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863299