| SpectraBase Compound ID | JOESEypLvc8 |
|---|---|
| InChI | InChI=1S/C17H22N4O2/c1-3-5-8-11-21-14-10-7-6-9-12(14)15(20-21)17(23)19-13(4-2)16(18)22/h3,6-7,9-10,13H,1,4-5,8,11H2,2H3,(H2,18,22)(H,19,23)/t13-/m0/s1 |
| InChIKey | SHELRBQJCJWWQC-ZDUSSCGKSA-N |
| Mol Weight | 314.39 g/mol |
| Molecular Formula | C17H22N4O2 |
| Exact Mass | 314.174276 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 1BrW40wcUW2 |
|---|---|
| Name | AMP-4en-PINACA |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 33818 |
| Lot Number | 0611773-11 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H22N4O2 |
| IUPAC Name | (S)-N-(1-Amino-1-oxobutan-2-yl)-1-(pent-4-en-1-yl)-1H-indazole-3-carboxamide |
| InChI | InChI=1S/C17H22N4O2/c1-3-5-8-11-21-14-10-7-6-9-12(14)15(20-21)17(23)19-13(4-2)16(18)22/h3,6-7,9-10,13H,1,4-5,8,11H2,2H3,(H2,18,22)(H,19,23)/t13-/m0/s1 |
| InChIKey | SHELRBQJCJWWQC-ZDUSSCGKSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 314.389 g/mol |
| Purity | >=98% |
| SMILES | N(C(c1n[n](c2c1cccc2)CCCC=C)=O)[C@](C(N)=O)(CC)[H] |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | ABO-PENINACA; ABO-4en-PINACA |
| Technique | ATR-Neat |