| SpectraBase Compound ID | 8UfXvLohAnp |
|---|---|
| InChI | InChI=1S/C20H27FN2O4/c1-20(2,3)17(19(26)27)22-18(25)15-12-23(10-6-7-13(24)11-21)16-9-5-4-8-14(15)16/h4-5,8-9,12-13,17,24H,6-7,10-11H2,1-3H3,(H,22,25)(H,26,27)/t13?,17-/m1/s1 |
| InChIKey | ZFYMODMFKRMLJY-LRHAYUFXSA-N |
| Mol Weight | 378.44 g/mol |
| Molecular Formula | C20H27FN2O4 |
| Exact Mass | 378.195486 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5FefcxoPfE |
|---|---|
| Name | 5-fluoro MDMB-PICA metabolite 4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H27FN2O4 |
| InChI | InChI=1S/C20H27FN2O4/c1-20(2,3)17(19(26)27)22-18(25)15-12-23(10-6-7-13(24)11-21)16-9-5-4-8-14(15)16/h4-5,8-9,12-13,17,24H,6-7,10-11H2,1-3H3,(H,22,25)(H,26,27)/t13?,17-/m1/s1 |
| InChIKey | ZFYMODMFKRMLJY-LRHAYUFXSA-N |
| Molecular Weight | 378.444 g/mol |
| SMILES | N(C(c1c[n](CCCC(O)CF)c2c1cccc2)=O)[C@](C(O)=O)(C(C)(C)C)[H] |
| SPLASH | splash10-0udm-4965000000-56fa83db066f056f9435 |
| Source of Spectrum | CAY-2023-322-0 |
| Wiley ID | 1888288 |