| SpectraBase Compound ID | 1VRIdLXTsfo |
|---|---|
| InChI | InChI=1S/C15H16F3NO4/c1-3-10(19(4-2)14(21)15(16,17)18)13(20)9-5-6-11-12(7-9)23-8-22-11/h5-7,10H,3-4,8H2,1-2H3 |
| InChIKey | RVAPYRHIIWZBKI-UHFFFAOYSA-N |
| Mol Weight | 331.29 g/mol |
| Molecular Formula | C15H16F3NO4 |
| Exact Mass | 331.103142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CEFTXuuTsh1 |
|---|---|
| Name | Eutylone tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.103142484 u |
| Formula | C15H16F3NO4 |
| InChI | InChI=1S/C15H16F3NO4/c1-3-10(19(4-2)14(21)15(16,17)18)13(20)9-5-6-11-12(7-9)23-8-22-11/h5-7,10H,3-4,8H2,1-2H3 |
| InChIKey | RVAPYRHIIWZBKI-UHFFFAOYSA-N |
| Molecular Weight | 331.291 g/mol |
| SMILES | C(N(C(C(F)(F)F)=O)CC)(C(C=1C=C2C(=CC1)OCO2)=O)CC |