SpectraBase Compound ID | 5Mtk43KudQL |
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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 |
SpectraBase Spectrum ID | GElOHwvPtYx |
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Name | Zingerone, heptafluorobutyrate |
Comments | Computed using HOSE algorithm |
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 |