SpectraBase Compound ID | 7TVXTjVzP5s |
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InChI | InChI=1S/C17H10F3NO2/c18-17(19,20)14-3-1-2-12(10-14)6-9-16(22)23-15-7-4-13(11-21)5-8-15/h1-10H/b9-6+ |
InChIKey | HNVHKGKHGLQQMO-RMKNXTFCSA-N |
Mol Weight | 317.27 g/mol |
Molecular Formula | C17H10F3NO2 |
Exact Mass | 317.066363 g/mol |
SpectraBase Spectrum ID | BH89SKfNCgG |
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Name | Trans-3-trifluoromethylcinnamic acid, 4-cyanophenyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 317.066363053 u |
Formula | C17H10F3NO2 |
InChI | InChI=1S/C17H10F3NO2/c18-17(19,20)14-3-1-2-12(10-14)6-9-16(22)23-15-7-4-13(11-21)5-8-15/h1-10H/b9-6+ |
InChIKey | HNVHKGKHGLQQMO-RMKNXTFCSA-N |
Molecular Weight | 317.267 g/mol |
SMILES | C1(=CC=CC(=C1)\C=C\C(OC1=CC=C(C=C1)C#N)=O)C(F)(F)F |