| SpectraBase Compound ID | D3OV7XWsV1t |
|---|---|
| InChI | InChI=1S/C21H23N3O2/c1-14(2)19(20(22)25)23-21(26)17-13-24(12-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,13-14,19H,12H2,1-2H3,(H2,22,25)(H,23,26) |
| InChIKey | KWZMKPNXFPNTEJ-UHFFFAOYSA-N |
| Mol Weight | 349.43 g/mol |
| Molecular Formula | C21H23N3O2 |
| Exact Mass | 349.179027 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | BgyaSPdRrl1 |
|---|---|
| Name | ADB-BINACA |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 18757 |
| Lot Number | 0481751-1 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H23N3O2 |
| IUPAC Name | N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzyl-1H-indazole-3-carboxamide |
| InChI | InChI=1S/C21H23N3O2/c1-14(2)19(20(22)25)23-21(26)17-13-24(12-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,13-14,19H,12H2,1-2H3,(H2,22,25)(H,23,26) |
| InChIKey | KWZMKPNXFPNTEJ-UHFFFAOYSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | N(C(c1c2ccccc2[n](c1)Cc1ccccc1)=O)C(C(N)=O)C(C)C |
| Scan Speed (number) | 5 |
| Technique | KBr0 |