| SpectraBase Compound ID | ANauDza6VPM |
|---|---|
| InChI | InChI=1S/C20H27FN2O3/c1-20(2,3)17(19(25)26)22-18(24)15-13-23(12-8-4-7-11-21)16-10-6-5-9-14(15)16/h5-6,9-10,13,17H,4,7-8,11-12H2,1-3H3,(H,22,24)(H,25,26)/t17-/m0/s1 |
| InChIKey | VZDMQSRBNZTURL-KRWDZBQOSA-N |
| Mol Weight | 362.45 g/mol |
| Molecular Formula | C20H27FN2O3 |
| Exact Mass | 362.200571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFTLoCdNCYP |
|---|---|
| Name | 5-Fluoro mdmb-pica-m/A (-NH3) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.200570897 u |
| Formula | C20H27FN2O3 |
| InChI | InChI=1S/C20H27FN2O3/c1-20(2,3)17(19(25)26)22-18(24)15-13-23(12-8-4-7-11-21)16-10-6-5-9-14(15)16/h5-6,9-10,13,17H,4,7-8,11-12H2,1-3H3,(H,22,24)(H,25,26)/t17-/m0/s1 |
| InChIKey | VZDMQSRBNZTURL-KRWDZBQOSA-N |
| Molecular Weight | 362.445 g/mol |
| SMILES | C=1(C=2C(N(C1)CCCCCF)=CC=CC2)C(N[C@](C(C)(C)C)(C(=O)O)[H])=O |