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Succinic acid, butyl 3-methylbutyl ester

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

Succinic acid, butyl 3-methylbutyl ester
SpectraBase Compound ID 87Fv1R2Mqer
InChI InChI=1S/C13H24O4/c1-4-5-9-16-12(14)6-7-13(15)17-10-8-11(2)3/h11H,4-10H2,1-3H3
InChIKey NSISXFIDCXRADF-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C13H24O4
Exact Mass 244.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fuo4lGhtzOi
Name Succinic acid, butyl 3-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.167459249 u
Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-4-5-9-16-12(14)6-7-13(15)17-10-8-11(2)3/h11H,4-10H2,1-3H3
InChIKey NSISXFIDCXRADF-UHFFFAOYSA-N
Molecular Weight 244.331 g/mol
SMILES C(C(OCCC(C)C)=O)CC(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951093