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Succinic acid, 3-methylbut-2-yl neopentyl ester

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

Succinic acid, 3-methylbut-2-yl neopentyl ester
SpectraBase Compound ID G1NnakMu4oC
InChI InChI=1S/C14H26O4/c1-10(2)11(3)18-13(16)8-7-12(15)17-9-14(4,5)6/h10-11H,7-9H2,1-6H3
InChIKey IWLPBXSDIKXFCL-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 KObosaxKAzI
Name Succinic acid, 3-methylbut-2-yl neopentyl 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/c1-10(2)11(3)18-13(16)8-7-12(15)17-9-14(4,5)6/h10-11H,7-9H2,1-6H3
InChIKey IWLPBXSDIKXFCL-UHFFFAOYSA-N
Molecular Weight 258.358 g/mol
SMILES C(CC(OC(C(C)C)C)=O)C(OCC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973151