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Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylbutyl ester

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Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylbutyl ester
SpectraBase Compound ID D51ZB5cv2zu
InChI InChI=1S/C13H21F3O4/c1-4-9(2)8-19-11(17)6-5-7-12(18)20-10(3)13(14,15)16/h9-10H,4-8H2,1-3H3
InChIKey OBBXIBFMPHJOIU-UHFFFAOYSA-N
Mol Weight 298.3 g/mol
Molecular Formula C13H21F3O4
Exact Mass 298.139194 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7YJ6Re0x5Jd
Name Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.139193641 u
Formula C13H21F3O4
InChI InChI=1S/C13H21F3O4/c1-4-9(2)8-19-11(17)6-5-7-12(18)20-10(3)13(14,15)16/h9-10H,4-8H2,1-3H3
InChIKey OBBXIBFMPHJOIU-UHFFFAOYSA-N
Molecular Weight 298.302 g/mol
SMILES C(CCC(OC(C)C(F)(F)F)=O)C(OCC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86411