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Zingerone, heptafluorobutyrate

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

Zingerone, heptafluorobutyrate
SpectraBase Compound ID 5Mtk43KudQL
InChI InChI=1S/C15H13F7O4/c1-8(23)3-4-9-5-6-10(11(7-9)25-2)26-12(24)13(16,17)14(18,19)15(20,21)22/h5-7H,3-4H2,1-2H3
InChIKey UKKZMSLGQFVHBT-UHFFFAOYSA-N
Mol Weight 390.25 g/mol
Molecular Formula C15H13F7O4
Exact Mass 390.070206 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FjFhywot0a4
Name Zingerone, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.070206036 u
Formula C15H13F7O4
InChI InChI=1S/C15H13F7O4/c1-8(23)3-4-9-5-6-10(11(7-9)25-2)26-12(24)13(16,17)14(18,19)15(20,21)22/h5-7H,3-4H2,1-2H3
InChIKey UKKZMSLGQFVHBT-UHFFFAOYSA-N
Molecular Weight 390.254 g/mol
SMILES C(CC(C)=O)C1=CC(OC)=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903893