| SpectraBase Compound ID | HagOGcftVmm |
|---|---|
| InChI | InChI=1S/C23H30ClN3O/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 | LGENBCKWDLSPTD-BRGRSMLUSA-N |
| Mol Weight | 399.97 g/mol |
| Molecular Formula | C23H30ClN3O |
| Exact Mass | 399.20774 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 5PepjHZcafy |
|---|---|
| Name | 5-Chloro AKB48 |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 18166 |
| Lot Number | 0472010-7 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H30ClN3O |
| IUPAC Name | 1-(5-Chloropentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide |
| InChI | InChI=1S/C23H30ClN3O/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 | LGENBCKWDLSPTD-BRGRSMLUSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | N(C(=O)c1c2c([n](n1)CCCCCCl)cccc2)[C@]12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H] |
| Scan Speed (number) | 5 |
| Synonyms | 5-Chloro APINACA |
| Technique | KBr0 |