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Succinic acid, 3-methylbut-2-enyl 3-pentyl ester

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

Succinic acid, 3-methylbut-2-enyl 3-pentyl ester
SpectraBase Compound ID J0GK10MfBpm
InChI InChI=1S/C14H24O4/c1-5-12(6-2)18-14(16)8-7-13(15)17-10-9-11(3)4/h9,12H,5-8,10H2,1-4H3
InChIKey IZWIVPUNXLSAKU-UHFFFAOYSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JEg77bM42Vd
Name Succinic acid, 3-methylbut-2-enyl 3-pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-5-12(6-2)18-14(16)8-7-13(15)17-10-9-11(3)4/h9,12H,5-8,10H2,1-4H3
InChIKey IZWIVPUNXLSAKU-UHFFFAOYSA-N
Molecular Weight 256.342 g/mol
SMILES CCC(CC)OC(CCC(=O)OCC=C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974301