| SpectraBase Compound ID | CgQBbog1hvd |
|---|---|
| InChI | InChI=1S/C23H30BrN3O/c24-8-4-1-5-9-27-20-7-3-2-6-19(20)21(26-27)22(28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18H,1,4-5,8-15H2,(H,25,28)/t16-,17+,18-,23- |
| InChIKey | JKYXWDCDKGVNGP-BRGRSMLUSA-N |
| Mol Weight | 444.42 g/mol |
| Molecular Formula | C23H30BrN3O |
| Exact Mass | 443.157226 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GTTX60H3OjE |
|---|---|
| Name | 5-bromo APINACA |
| Catalog Number | 25209 |
| CAS Registry Number | 2160555-51-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H30BrN3O |
| InChI | InChI=1S/C23H30BrN3O/c24-8-4-1-5-9-27-20-7-3-2-6-19(20)21(26-27)22(28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18H,1,4-5,8-15H2,(H,25,28)/t16-,17+,18-,23- |
| InChIKey | JKYXWDCDKGVNGP-BRGRSMLUSA-N |
| Molecular Weight | 444.417 g/mol |
| SMILES | N(C(c1c2ccccc2[n](n1)CCCCCBr)=O)C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H] |
| SPLASH | splash10-0007-7982100000-440fba1ff1e6128d5b2a |
| Source of Spectrum | CAY-2023-612-0 |
| Wiley ID | 1888571 |