SpectraBase Compound ID | AhS7JUNvIRA |
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InChI | InChI=1S/C20H30N4O2/c1-5-6-7-10-13-24-15-12-9-8-11-14(15)16(23-24)19(26)22-17(18(21)25)20(2,3)4/h8-9,11-12,17H,5-7,10,13H2,1-4H3,(H2,21,25)(H,22,26)/t17-/m1/s1 |
InChIKey | PZMLDAGKYPJWHJ-QGZVFWFLSA-N |
Mol Weight | 358.49 g/mol |
Molecular Formula | C20H30N4O2 |
Exact Mass | 358.236876 g/mol |
SpectraBase Spectrum ID | 6fLOKTkPLi3 |
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Name | ADB-HEXINACA |
Source of Sample | Cayman Chemical Company |
Catalog Number | 33820 |
Lot Number | 0611894-21 |
Accessory | DurasamplIR II |
Apodization Function | Norton-Beer, medium |
Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C20H30N4O2 |
IUPAC Name | (S)-N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexyl-1H-indazole-3-carboxamide |
InChI | InChI=1S/C20H30N4O2/c1-5-6-7-10-13-24-15-12-9-8-11-14(15)16(23-24)19(26)22-17(18(21)25)20(2,3)4/h8-9,11-12,17H,5-7,10,13H2,1-4H3,(H2,21,25)(H,22,26)/t17-/m1/s1 |
InChIKey | PZMLDAGKYPJWHJ-QGZVFWFLSA-N |
Instrument Name | Bio-Rad FTS |
Molecular Weight | 358.486 g/mol |
Purity | >=98% |
SMILES | N(C(c1n[n](c2c1cccc2)CCCCCC)=O)[C@](C(N)=O)(C(C)(C)C)[H] |
Scan Speed (number) | 5 |
Source of Spectrum | Forensic Spectral Research |
Synonyms | ADB-HINACA |
Technique | ATR-Neat |