| SpectraBase Compound ID | 3ueKfeYphth |
|---|---|
| InChI | InChI=1S/C27H40FN3O4/c1-26(2,3)21(24(33)30-22(25(34)35-7)27(4,5)6)29-23(32)19-17-31(16-12-8-11-15-28)20-14-10-9-13-18(19)20/h9-10,13-14,17,21-22H,8,11-12,15-16H2,1-7H3,(H,29,32)(H,30,33)/t21-,22?/m0/s1 |
| InChIKey | ZSSHRQCCTRHHMB-HMTLIYDFSA-N |
| Mol Weight | 489.6 g/mol |
| Molecular Formula | C27H40FN3O4 |
| Exact Mass | 489.300285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEq4Kg4mg7E |
|---|---|
| Name | 5F-Mdmb-dmb-pica I |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 489.300284939 u |
| Formula | C27H40FN3O4 |
| InChI | InChI=1S/C27H40FN3O4/c1-26(2,3)21(24(33)30-22(25(34)35-7)27(4,5)6)29-23(32)19-17-31(16-12-8-11-15-28)20-14-10-9-13-18(19)20/h9-10,13-14,17,21-22H,8,11-12,15-16H2,1-7H3,(H,29,32)(H,30,33)/t21-,22?/m0/s1 |
| InChIKey | ZSSHRQCCTRHHMB-HMTLIYDFSA-N |
| Molecular Weight | 489.632 g/mol |
| SMILES | C=1(C=2C(N(C1)CCCCCF)=CC=CC2)C(N[C@@](C(NC(C(C)(C)C)C(OC)=O)=O)(C(C)(C)C)[H])=O |