| SpectraBase Compound ID | QTgOWQdRDB |
|---|---|
| InChI | InChI=1S/C21H29FN2O4/c1-21(2,3)18(20(27)28-4)23-19(26)16-13-24(11-7-5-6-10-22)17-12-14(25)8-9-15(16)17/h8-9,12-13,18,25H,5-7,10-11H2,1-4H3,(H,23,26)/t18-/m1/s1 |
| InChIKey | CUJKLIFBKSGIOH-GOSISDBHSA-N |
| Mol Weight | 392.47 g/mol |
| Molecular Formula | C21H29FN2O4 |
| Exact Mass | 392.211136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2CW9LvCDCwM |
|---|---|
| Name | 5-fluoro MDMB-PICA metabolite 9 |
| Catalog Number | 27587 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29FN2O4 |
| InChI | InChI=1S/C21H29FN2O4/c1-21(2,3)18(20(27)28-4)23-19(26)16-13-24(11-7-5-6-10-22)17-12-14(25)8-9-15(16)17/h8-9,12-13,18,25H,5-7,10-11H2,1-4H3,(H,23,26)/t18-/m1/s1 |
| InChIKey | CUJKLIFBKSGIOH-GOSISDBHSA-N |
| Molecular Weight | 392.471 g/mol |
| SMILES | N(C(c1c[n](c2c1ccc(c2)O)CCCCCF)=O)[C@](C(OC)=O)(C(C)(C)C)[H] |
| SPLASH | splash10-0002-1492000000-53e0bc803cc9d9ce0fa8 |
| Source of Spectrum | CAY-2023-294-0 |
| Wiley ID | 1888260 |