| SpectraBase Compound ID | Dm6kJgL1h40 |
|---|---|
| InChI | InChI=1S/C23H31N3O.C6H8O7/c1-5-25(6-2)14-15-26-22-13-8-18(4)16-21(22)24-23(26)17-19-9-11-20(12-10-19)27-7-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-13,16H,5-7,14-15,17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | UACYJENMCPODLZ-UHFFFAOYSA-N |
| Mol Weight | 557.64 g/mol |
| Molecular Formula | C29H39N3O8 |
| Exact Mass | 557.273715 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EIz74IecoyT |
|---|---|
| Name | 5-Methyl etodesnitazene citrate |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 36767 |
| Lot Number | 0644090-12 |
| Cell Type | Neat on gold post |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H39N3O8 |
| InChI | InChI=1S/C23H31N3O.C6H8O7/c1-5-25(6-2)14-15-26-22-13-8-18(4)16-21(22)24-23(26)17-19-9-11-20(12-10-19)27-7-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-13,16H,5-7,14-15,17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | UACYJENMCPODLZ-UHFFFAOYSA-N |
| Raman Corrections | Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source | Nd:YAG |
| SMILES | c1c(cc2c(c1)[n](c(n2)Cc1ccc(cc1)OCC)CCN(CC)CC)C.OC(CC(O)=O)(CC(O)=O)C(O)=O |
| Scans Performed | 1728 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | FT-Raman |