| SpectraBase Compound ID | L7ndlHkJrep |
|---|---|
| InChI | InChI=1S/C18H23F3N2O2/c1-5-22(12(2)3)9-8-13-11-23(17(24)18(19,20)21)16-7-6-14(25-4)10-15(13)16/h6-7,10-12H,5,8-9H2,1-4H3 |
| InChIKey | HMZSYFJMYPLLEF-UHFFFAOYSA-N |
| Mol Weight | 356.39 g/mol |
| Molecular Formula | C18H23F3N2O2 |
| Exact Mass | 356.171162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7hq71OZEHOt |
|---|---|
| Name | 5-Methoxy eipt, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.171162476 u |
| Formula | C18H23F3N2O2 |
| InChI | InChI=1S/C18H23F3N2O2/c1-5-22(12(2)3)9-8-13-11-23(17(24)18(19,20)21)16-7-6-14(25-4)10-15(13)16/h6-7,10-12H,5,8-9H2,1-4H3 |
| InChIKey | HMZSYFJMYPLLEF-UHFFFAOYSA-N |
| Molecular Weight | 356.389 g/mol |
| SMILES | C(CN(C(C)C)CC)C=1C2=C(C=CC(=C2)OC)N(C1)C(C(F)(F)F)=O |