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Succinic acid, 3-hexyl isobutyl ester

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

Succinic acid, 3-hexyl isobutyl ester
SpectraBase Compound ID C4X1HoT5mQ
InChI InChI=1S/C14H26O4/c1-5-7-12(6-2)18-14(16)9-8-13(15)17-10-11(3)4/h11-12H,5-10H2,1-4H3
InChIKey BWRRUPLQLPOKIK-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C14H26O4
Exact Mass 258.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EGXOXo2N1Kn
Name Succinic acid, 3-hexyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.183109313 u
Formula C14H26O4
InChI InChI=1S/C14H26O4/c1-5-7-12(6-2)18-14(16)9-8-13(15)17-10-11(3)4/h11-12H,5-10H2,1-4H3
InChIKey BWRRUPLQLPOKIK-UHFFFAOYSA-N
Molecular Weight 258.358 g/mol
SMILES C(C(OC(CC)CCC)=O)CC(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94404