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Succinic acid, 1,1,1-trifluoroprop-2-yl phenethyl ester

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Succinic acid, 1,1,1-trifluoroprop-2-yl phenethyl ester
SpectraBase Compound ID 4t0lS7LRXav
InChI InChI=1S/C15H17F3O4/c1-11(15(16,17)18)22-14(20)8-7-13(19)21-10-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKey FGMFOOCETINIKD-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 8D78R3DJJXF
Name Succinic acid, 1,1,1-trifluoroprop-2-yl phenethyl 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/c1-11(15(16,17)18)22-14(20)8-7-13(19)21-10-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKey FGMFOOCETINIKD-UHFFFAOYSA-N
Molecular Weight 318.292 g/mol
SMILES C(CC(OC(C)C(F)(F)F)=O)C(OCCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808403