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Butanedioic acid bis(2-methylpropyl) ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Butanedioic acid bis(2-methylpropyl) ester
SpectraBase Compound ID HpngkaMU2Jg
InChI InChI=1S/C12H22O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h9-10H,5-8H2,1-4H3
InChIKey QCOAPBRVQHMEPF-UHFFFAOYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5C6UYUGo1JI
Name Butanedioic acid, bis(2-methylpropyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.151809184 u
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h9-10H,5-8H2,1-4H3
InChIKey QCOAPBRVQHMEPF-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES CC(COC(CCC(OCC(C)C)=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962414