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Succinic acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl ester
SpectraBase Compound ID 3QPsQnIrIg8
InChI InChI=1S/C14H12F3NO4/c1-9(14(15,16)17)21-12(19)6-7-13(20)22-11-4-2-10(8-18)3-5-11/h2-5,9H,6-7H2,1H3
InChIKey KDBJGXDZRMNORF-UHFFFAOYSA-N
Mol Weight 315.25 g/mol
Molecular Formula C14H12F3NO4
Exact Mass 315.071842 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CmVA40kIIAA
Name Succinic acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.071842355 u
Formula C14H12F3NO4
InChI InChI=1S/C14H12F3NO4/c1-9(14(15,16)17)21-12(19)6-7-13(20)22-11-4-2-10(8-18)3-5-11/h2-5,9H,6-7H2,1H3
InChIKey KDBJGXDZRMNORF-UHFFFAOYSA-N
Molecular Weight 315.248 g/mol
SMILES C(CC(OC(C)C(F)(F)F)=O)C(OC=1C=CC(=CC1)C#N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965031