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Coniferyl aldehyde, heptafluorobutyrate

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

Coniferyl aldehyde, heptafluorobutyrate
SpectraBase Compound ID B59vzoA5ldQ
InChI InChI=1S/C14H9F7O4/c1-24-10-7-8(3-2-6-22)4-5-9(10)25-11(23)12(15,16)13(17,18)14(19,20)21/h2-7H,1H3/b3-2+
InChIKey PWFBGQHYOWETEU-NSCUHMNNSA-N
Mol Weight 374.21 g/mol
Molecular Formula C14H9F7O4
Exact Mass 374.038906 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1tH5LQNXFQS
Name Coniferyl aldehyde, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.038905907 u
Formula C14H9F7O4
InChI InChI=1S/C14H9F7O4/c1-24-10-7-8(3-2-6-22)4-5-9(10)25-11(23)12(15,16)13(17,18)14(19,20)21/h2-7H,1H3/b3-2+
InChIKey PWFBGQHYOWETEU-NSCUHMNNSA-N
Molecular Weight 374.211 g/mol
SMILES C1(=CC(=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)\C=C\C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95595