SpectraBase Compound ID | 6OIoTu4xp4p |
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InChI | InChI=1S/C12H7F3O5/c1-18-8-4-6-2-3-10(16)19-7(6)5-9(8)20-11(17)12(13,14)15/h2-5H,1H3 |
InChIKey | XHIACJDQFMGLNV-UHFFFAOYSA-N |
Mol Weight | 288.18 g/mol |
Molecular Formula | C12H7F3O5 |
Exact Mass | 288.024558 g/mol |
SpectraBase Spectrum ID | Du3TYrsS8tR |
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Name | Scopoletin, o-trifluoroacetyl- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 288.024557809 u |
Formula | C12H7F3O5 |
InChI | InChI=1S/C12H7F3O5/c1-18-8-4-6-2-3-10(16)19-7(6)5-9(8)20-11(17)12(13,14)15/h2-5H,1H3 |
InChIKey | XHIACJDQFMGLNV-UHFFFAOYSA-N |
Molecular Weight | 288.178 g/mol |
SMILES | C12=CC(OC)=C(C=C2OC(C=C1)=O)OC(C(F)(F)F)=O |