| SpectraBase Compound ID | EDMh7Fq866N |
|---|---|
| InChI | InChI=1S/C20H24N4O2.C6H8O7/c1-3-22(4-2)12-13-23-19-11-10-17(24(25)26)15-18(19)21-20(23)14-16-8-6-5-7-9-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-11,15H,3-4,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | VJGBQAFUEBFSOJ-UHFFFAOYSA-N |
| Mol Weight | 544.56 g/mol |
| Molecular Formula | C26H32N4O9 |
| Exact Mass | 544.216929 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HH5ev3CUjhx |
|---|---|
| Name | Nitazene citrate |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 36635 |
| Lot Number | 0641452-7 |
| Cell Type | Neat on gold post |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H32N4O9 |
| InChI | InChI=1S/C20H24N4O2.C6H8O7/c1-3-22(4-2)12-13-23-19-11-10-17(24(25)26)15-18(19)21-20(23)14-16-8-6-5-7-9-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-11,15H,3-4,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | VJGBQAFUEBFSOJ-UHFFFAOYSA-N |
| Raman Corrections | Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source | Nd:YAG |
| SMILES | O=N(=O)c1ccc2c(nc([n]2CCN(CC)CC)Cc2ccccc2)c1.OC(CC(O)=O)(CC(O)=O)C(O)=O |
| Scans Performed | 1280 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | FT-Raman |