| SpectraBase Compound ID | LcUAC6VIGV2 |
|---|---|
| InChI | InChI=1S/C16H12FN3O3/c17-12-7-5-11(6-8-12)15(21)10-23-16(22)9-20-14-4-2-1-3-13(14)18-19-20/h1-8H,9-10H2 |
| InChIKey | LEXMOGPAKBADJX-UHFFFAOYSA-N |
| Mol Weight | 313.29 g/mol |
| Molecular Formula | C16H12FN3O3 |
| Exact Mass | 313.086269 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GclSHFvSnUO |
|---|---|
| Name | 2-(4-Fluorophenyl)-2-oxoethyl 1H-1,2,3-benzotriazol-1-ylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.086269418 u |
| Formula | C16H12FN3O3 |
| InChI | InChI=1S/C16H12FN3O3/c17-12-7-5-11(6-8-12)15(21)10-23-16(22)9-20-14-4-2-1-3-13(14)18-19-20/h1-8H,9-10H2 |
| InChIKey | LEXMOGPAKBADJX-UHFFFAOYSA-N |
| Molecular Weight | 313.288 g/mol |
| SMILES | C=1C=CC=2N(N=NC2C1)CC(OCC(C=1C=CC(=CC1)F)=O)=O |