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Succinic acid, 1,1,1-trifluoroprop-2-yl hept-1,6-dien-4-yl ester

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

Succinic acid, 1,1,1-trifluoroprop-2-yl hept-1,6-dien-4-yl ester
SpectraBase Compound ID JelS1UvvH1R
InChI InChI=1S/C14H19F3O4/c1-4-6-11(7-5-2)21-13(19)9-8-12(18)20-10(3)14(15,16)17/h4-5,10-11H,1-2,6-9H2,3H3
InChIKey JKORLBFFGDBXNW-UHFFFAOYSA-N
Mol Weight 308.3 g/mol
Molecular Formula C14H19F3O4
Exact Mass 308.123544 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IJGC6mDiQMp
Name Succinic acid, 1,1,1-trifluoroprop-2-yl hept-1,6-dien-4-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.123543577 u
Formula C14H19F3O4
InChI InChI=1S/C14H19F3O4/c1-4-6-11(7-5-2)21-13(19)9-8-12(18)20-10(3)14(15,16)17/h4-5,10-11H,1-2,6-9H2,3H3
InChIKey JKORLBFFGDBXNW-UHFFFAOYSA-N
Molecular Weight 308.297 g/mol
SMILES C(CC(OC(C)C(F)(F)F)=O)C(OC(CC=C)CC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885667