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Succinic acid, 3,3-dimethylbut-2-yl propyl ester

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

Succinic acid, 3,3-dimethylbut-2-yl propyl ester
SpectraBase Compound ID GkeEZdTmRjC
InChI InChI=1S/C13H24O4/c1-6-9-16-11(14)7-8-12(15)17-10(2)13(3,4)5/h10H,6-9H2,1-5H3
InChIKey RFRNRLNMCNXJSX-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 2aHPKZdauaJ
Name Succinic acid, 3,3-dimethylbut-2-yl propyl 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/c1-6-9-16-11(14)7-8-12(15)17-10(2)13(3,4)5/h10H,6-9H2,1-5H3
InChIKey RFRNRLNMCNXJSX-UHFFFAOYSA-N
Molecular Weight 244.331 g/mol
SMILES C(CC(OC(C(C)(C)C)C)=O)C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935674