SpectraBase Compound ID | 1U7rctXntsM |
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InChI | InChI=1S/C13H10F3NO3/c1-8-10(12(18)19-7-13(14,15)16)11(17-20-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
InChIKey | FNEXLACXAXQSKU-UHFFFAOYSA-N |
Mol Weight | 285.22 g/mol |
Molecular Formula | C13H10F3NO3 |
Exact Mass | 285.061278 g/mol |
SpectraBase Spectrum ID | 9YHfvSWyMKB |
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Name | 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-, 2,2,2-trifluoroethyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 285.061277672 u |
Formula | C13H10F3NO3 |
InChI | InChI=1S/C13H10F3NO3/c1-8-10(12(18)19-7-13(14,15)16)11(17-20-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
InChIKey | FNEXLACXAXQSKU-UHFFFAOYSA-N |
Molecular Weight | 285.222 g/mol |
SMILES | C=1(C(=NOC1C)C1=CC=CC=C1)C(OCC(F)(F)F)=O |