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Succinic acid, 1-phenyl-2,2,2-trifluoroethyl propyl ester

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Succinic acid, 1-phenyl-2,2,2-trifluoroethyl propyl ester
SpectraBase Compound ID 4VJyLevV6kg
InChI InChI=1S/C15H17F3O4/c1-2-10-21-12(19)8-9-13(20)22-14(15(16,17)18)11-6-4-3-5-7-11/h3-7,14H,2,8-10H2,1H3
InChIKey IGNBUTBAUFLECI-UHFFFAOYSA-N
Mol Weight 318.29 g/mol
Molecular Formula C15H17F3O4
Exact Mass 318.107894 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2noYsF6xEaE
Name Succinic acid, 1-phenyl-2,2,2-trifluoroethyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.107893512 u
Formula C15H17F3O4
InChI InChI=1S/C15H17F3O4/c1-2-10-21-12(19)8-9-13(20)22-14(15(16,17)18)11-6-4-3-5-7-11/h3-7,14H,2,8-10H2,1H3
InChIKey IGNBUTBAUFLECI-UHFFFAOYSA-N
Molecular Weight 318.292 g/mol
SMILES C(CCC(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813092