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

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

Succinic acid, 2-methylpent-3-yl propyl ester
SpectraBase Compound ID HPaT0vC7sEH
InChI InChI=1S/C13H24O4/c1-5-9-16-12(14)7-8-13(15)17-11(6-2)10(3)4/h10-11H,5-9H2,1-4H3
InChIKey PIKMCILJJNQAPR-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 Hs1sZcdmRvR
Name Succinic acid, 2-methylpent-3-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/c1-5-9-16-12(14)7-8-13(15)17-11(6-2)10(3)4/h10-11H,5-9H2,1-4H3
InChIKey PIKMCILJJNQAPR-UHFFFAOYSA-N
Molecular Weight 244.331 g/mol
SMILES C(OC(C(C)C)CC)(CCC(OCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954663