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Succinic acid, isobutyl 3-methylpentyl ester

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

Succinic acid, isobutyl 3-methylpentyl ester
SpectraBase Compound ID 2ycw6VqJOvn
InChI InChI=1S/C14H26O4/c1-5-12(4)8-9-17-13(15)6-7-14(16)18-10-11(2)3/h11-12H,5-10H2,1-4H3
InChIKey COYVIPMQQLBOFV-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 KT5MiUV7ULW
Name Succinic acid, isobutyl 3-methylpentyl 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/c1-5-12(4)8-9-17-13(15)6-7-14(16)18-10-11(2)3/h11-12H,5-10H2,1-4H3
InChIKey COYVIPMQQLBOFV-UHFFFAOYSA-N
Molecular Weight 258.358 g/mol
SMILES C(CC(OCCC(C)CC)=O)C(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964856