| SpectraBase Compound ID | 9AjCwFfZwzV |
|---|---|
| InChI | InChI=1S/C19H27FN4O2/c1-3-13(2)16(18(21)25)22-19(26)17-14-9-5-6-10-15(14)23-24(17)12-8-4-7-11-20/h5-6,9-10,13,16H,3-4,7-8,11-12H2,1-2H3,(H2,21,25)(H,22,26)/t13-,16-/m0/s1 |
| InChIKey | CIXZTODJNNGQFI-BBRMVZONSA-N |
| Mol Weight | 362.45 g/mol |
| Molecular Formula | C19H27FN4O2 |
| Exact Mass | 362.211804 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ECSgSQl8SZ1 |
|---|---|
| Name | 5-fluoro-2-ADB-PINACA isomer 2 |
| Catalog Number | 17169 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H27FN4O2 |
| InChI | InChI=1S/C19H27FN4O2/c1-3-13(2)16(18(21)25)22-19(26)17-14-9-5-6-10-15(14)23-24(17)12-8-4-7-11-20/h5-6,9-10,13,16H,3-4,7-8,11-12H2,1-2H3,(H2,21,25)(H,22,26)/t13-,16-/m0/s1 |
| InChIKey | CIXZTODJNNGQFI-BBRMVZONSA-N |
| Molecular Weight | 362.449 g/mol |
| SMILES | N(C(=O)c1c2c(cccc2)n[n]1CCCCCF)[C@](C(N)=O)([C@](CC)(C)[H])[H] |
| SPLASH | splash10-0a59-1390000000-9a275ef62ab663d3cbe0 |
| Source of Spectrum | CAY-2023-222-0 |
| Wiley ID | 1888188 |