| SpectraBase Compound ID | Gs9UK82xvON |
|---|---|
| InChI | InChI=1S/C20H30N4O3/c1-20(2,3)17(18(21)26)22-19(27)16-14-10-6-7-11-15(14)24(23-16)12-8-4-5-9-13-25/h6-7,10-11,17,25H,4-5,8-9,12-13H2,1-3H3,(H2,21,26)(H,22,27)/t17-/m1/s1 |
| InChIKey | RUINUFHZRSCQCX-QGZVFWFLSA-N |
| Mol Weight | 374.49 g/mol |
| Molecular Formula | C20H30N4O3 |
| Exact Mass | 374.231791 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FBplQcyXeQ1 |
|---|---|
| Name | ADB-HEXINACA N-(6-hydroxyhexyl) metabolite |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 35566 |
| Lot Number | 0636812-2 |
| Cell Type | Neat on gold post |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30N4O3 |
| InChI | InChI=1S/C20H30N4O3/c1-20(2,3)17(18(21)26)22-19(27)16-14-10-6-7-11-15(14)24(23-16)12-8-4-5-9-13-25/h6-7,10-11,17,25H,4-5,8-9,12-13H2,1-3H3,(H2,21,26)(H,22,27)/t17-/m1/s1 |
| InChIKey | RUINUFHZRSCQCX-QGZVFWFLSA-N |
| Raman Corrections | Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source | Nd:YAG |
| SMILES | OCCCCCC[n]1nc(C(=O)N[C@](C(N)=O)(C(C)(C)C)[H])c2c1cccc2 |
| Scans Performed | 1024 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | FT-Raman |