| SpectraBase Compound ID | DbKn7COLQ0v |
|---|---|
| InChI | InChI=1S/C24H32N4O3.C6H8O7/c1-5-18(4)31-21-11-8-19(9-12-21)16-24-25-22-17-20(28(29)30)10-13-23(22)27(24)15-14-26(6-2)7-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-13,17-18H,5-7,14-16H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | GTXUHVRBCJSXMV-UHFFFAOYSA-N |
| Mol Weight | 616.67 g/mol |
| Molecular Formula | C30H40N4O10 |
| Exact Mass | 616.274443 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | jVyCg6Tw8J |
|---|---|
| Name | sec-Butonitazine citrate |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 34856 |
| Lot Number | 0625272-15 |
| Cell Type | Neat on gold post |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H40N4O10 |
| InChI | InChI=1S/C24H32N4O3.C6H8O7/c1-5-18(4)31-21-11-8-19(9-12-21)16-24-25-22-17-20(28(29)30)10-13-23(22)27(24)15-14-26(6-2)7-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-13,17-18H,5-7,14-16H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | GTXUHVRBCJSXMV-UHFFFAOYSA-N |
| Raman Corrections | Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source | Nd:YAG |
| SMILES | OC(CC(O)=O)(CC(O)=O)C(O)=O.O=N(=O)c1cc2nc(Cc3ccc(OC(C)CC)cc3)[n](c2cc1)CCN(CC)CC |
| Scans Performed | 1344 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | FT-Raman |