| SpectraBase Compound ID | C9RH8Gmf9Up |
|---|---|
| InChI | InChI=1S/C18H24BrN3O3/c1-5-6-9-22-13-8-7-11(19)10-12(13)14(21-22)16(23)20-15(17(24)25)18(2,3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H,20,23)(H,24,25)/t15-/m1/s1 |
| InChIKey | PIZZIEOWAWWAAK-OAHLLOKOSA-N |
| Mol Weight | 410.31 g/mol |
| Molecular Formula | C18H24BrN3O3 |
| Exact Mass | 409.100105 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 1njEbVYINXT |
|---|---|
| Name | ADB-5'Br-BUTINACA 3,3-dimethyl butanoic acid metabolite |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 37607 |
| Lot Number | 0663134-3 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H24BrN3O3 |
| InChI | InChI=1S/C18H24BrN3O3/c1-5-6-9-22-13-8-7-11(19)10-12(13)14(21-22)16(23)20-15(17(24)25)18(2,3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H,20,23)(H,24,25)/t15-/m1/s1 |
| InChIKey | PIZZIEOWAWWAAK-OAHLLOKOSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | N(C(c1c2c(ccc(c2)Br)[n](n1)CCCC)=O)[C@](C(O)=O)(C(C)(C)C)[H] |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Neat |