| SpectraBase Compound ID | 6JzuWNZuV1s |
|---|---|
| InChI | InChI=1S/C23H25F6N3O5/c1-13(30-18(33)15-9-5-11-31(15)20(35)22(24,25)26)17(14-7-3-2-4-8-14)37-19(34)16-10-6-12-32(16)21(36)23(27,28)29/h2-4,7-8,13,15-17H,5-6,9-12H2,1H3,(H,30,33)/t13?,15?,16?,17-/m1/s1 |
| InChIKey | KFTAKQNRKMRUOU-VFMGQYKMSA-N |
| Mol Weight | 537.46 g/mol |
| Molecular Formula | C23H25F6N3O5 |
| Exact Mass | 537.16984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BwRLQJdIKT2 |
|---|---|
| Name | Cathine 2tfp |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 537.169839890 u |
| Formula | C23H25F6N3O5 |
| InChI | InChI=1S/C23H25F6N3O5/c1-13(30-18(33)15-9-5-11-31(15)20(35)22(24,25)26)17(14-7-3-2-4-8-14)37-19(34)16-10-6-12-32(16)21(36)23(27,28)29/h2-4,7-8,13,15-17H,5-6,9-12H2,1H3,(H,30,33)/t13?,15?,16?,17-/m1/s1 |
| InChIKey | KFTAKQNRKMRUOU-VFMGQYKMSA-N |
| Molecular Weight | 537.459 g/mol |
| SMILES | C1(N(C(C(F)(F)F)=O)CCC1)C(NC([C@](C1=CC=CC=C1)(OC(C1N(C(C(F)(F)F)=O)CCC1)=O)[H])C)=O |