| SpectraBase Compound ID | 7TVLGpjRoOW |
|---|---|
| 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-/m1/s1/i5D,6D,9D,10D,13D |
| InChIKey | VZDMQSRBNZTURL-JHCDAWGWSA-N |
| Mol Weight | 367.48 g/mol |
| Molecular Formula | C20H22D5FN2O3 |
| Exact Mass | 367.231955 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | UxE2nzQKJE |
|---|---|
| Name | 5-fluoro MDMB-PICA metabolite 7-d5 |
| Catalog Number | 27488 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22D5FN2O3 |
| 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-/m1/s1/i5D,6D,9D,10D,13D |
| InChIKey | VZDMQSRBNZTURL-JHCDAWGWSA-N |
| Molecular Weight | 367.476 g/mol |
| SMILES | N(C(c1c2c(c(c(c(c2[n](c1[D])CCCCCF)[D])[D])[D])[D])=O)[C@](C(O)=O)(C(C)(C)C)[H] |
| SPLASH | splash10-000f-2490000000-d933fcf0196770825bf0 |
| Source of Spectrum | CAY-2023-424-0 |
| Wiley ID | 1888389 |