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Diglycolic acid, 2-methylbutyl propyl ester
SpectraBase Compound ID 6gtche8Jglo
InChI InChI=1S/C12H22O5/c1-4-6-16-11(13)8-15-9-12(14)17-7-10(3)5-2/h10H,4-9H2,1-3H3
InChIKey NVFGUDXOHMIZKD-UHFFFAOYSA-N
Mol Weight 246.3 g/mol
Molecular Formula C12H22O5
Exact Mass 246.146724 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2vlyuQ2dmiN
Name Diglycolic acid, 2-methylbutyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.146723803 u
Formula C12H22O5
InChI InChI=1S/C12H22O5/c1-4-6-16-11(13)8-15-9-12(14)17-7-10(3)5-2/h10H,4-9H2,1-3H3
InChIKey NVFGUDXOHMIZKD-UHFFFAOYSA-N
Molecular Weight 246.303 g/mol
SMILES C(COCC(=O)OCCC)(=O)OCC(C)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945469