| SpectraBase Compound ID | H3nt3HuND8K |
|---|---|
| InChI | InChI=1S/C21H29FN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1/i6D,7D,10D,11D,14D |
| InChIKey | CHSUEEBESACQDV-ROAYSOTPSA-N |
| Mol Weight | 381.5 g/mol |
| Molecular Formula | C21H24D5FN2O3 |
| Exact Mass | 381.247605 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1K5N7jW65qu |
|---|---|
| Name | 5-fluoro MDMB-PICA-d5 |
| Catalog Number | 27487 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24D5FN2O3 |
| InChI | InChI=1S/C21H29FN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1/i6D,7D,10D,11D,14D |
| InChIKey | CHSUEEBESACQDV-ROAYSOTPSA-N |
| Molecular Weight | 381.503 g/mol |
| SMILES | N(C(c1c2c(c(c(c(c2[n](c1[D])CCCCCF)[D])[D])[D])[D])=O)[C@@](C(C)(C)C)(C(OC)=O)[H] |
| SPLASH | splash10-000i-1391000000-1da6c793627fcafd6307 |
| Source of Spectrum | CAY-2023-431-0 |
| Wiley ID | 1888396 |