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Diglycolic acid, isobutyl isohexyl ester

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Diglycolic acid, isobutyl isohexyl ester
SpectraBase Compound ID 7ZJ0wQ5EmbQ
InChI InChI=1S/C14H26O5/c1-11(2)6-5-7-18-13(15)9-17-10-14(16)19-8-12(3)4/h11-12H,5-10H2,1-4H3
InChIKey YOKKQZQEJUFTJM-UHFFFAOYSA-N
Mol Weight 274.36 g/mol
Molecular Formula C14H26O5
Exact Mass 274.178024 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4Fvp1cJHROw
Name Diglycolic acid, isobutyl isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.178023932 u
Formula C14H26O5
InChI InChI=1S/C14H26O5/c1-11(2)6-5-7-18-13(15)9-17-10-14(16)19-8-12(3)4/h11-12H,5-10H2,1-4H3
InChIKey YOKKQZQEJUFTJM-UHFFFAOYSA-N
Molecular Weight 274.357 g/mol
SMILES C(COCC(=O)OCCCC(C)C)(=O)OCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947354