| SpectraBase Compound ID | 4Nr8YMkp2qy |
|---|---|
| InChI | InChI=1S/C20H28N4O4/c1-20(2,3)17(18(21)27)22-19(28)16-13-9-6-7-10-14(13)24(23-16)12-8-4-5-11-15(25)26/h6-7,9-10,17H,4-5,8,11-12H2,1-3H3,(H2,21,27)(H,22,28)(H,25,26)/t17-/m1/s1 |
| InChIKey | GOUAJHAGLSJAFV-QGZVFWFLSA-N |
| Mol Weight | 388.47 g/mol |
| Molecular Formula | C20H28N4O4 |
| Exact Mass | 388.211055 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DEN4ZWXwuDK |
|---|---|
| Name | ADB-HEXINACA N-hexanoic acid metabolite |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 35773 |
| Lot Number | 0636797-6 |
| Cell Type | Neat on gold post |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28N4O4 |
| InChI | InChI=1S/C20H28N4O4/c1-20(2,3)17(18(21)27)22-19(28)16-13-9-6-7-10-14(13)24(23-16)12-8-4-5-11-15(25)26/h6-7,9-10,17H,4-5,8,11-12H2,1-3H3,(H2,21,27)(H,22,28)(H,25,26)/t17-/m1/s1 |
| InChIKey | GOUAJHAGLSJAFV-QGZVFWFLSA-N |
| Raman Corrections | Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source | Nd:YAG |
| SMILES | OC(CCCCC[n]1nc(C(=O)N[C@](C(N)=O)(C(C)(C)C)[H])c2c1cccc2)=O |
| Scans Performed | 1280 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | FT-Raman |