| SpectraBase Compound ID | 43txCWaXPI2 |
|---|---|
| InChI | InChI=1S/C23H27N3O3S/c1-23(2,17-11-5-3-6-12-17)24-22(27)21-19-15-9-10-16-20(19)26(25-21)30(28,29)18-13-7-4-8-14-18/h3,5-6,9-12,15-16,18H,4,7-8,13-14H2,1-2H3,(H,24,27) |
| InChIKey | ZNRPDVCQZGICAF-UHFFFAOYSA-N |
| Mol Weight | 425.55 g/mol |
| Molecular Formula | C23H27N3O3S |
| Exact Mass | 425.177313 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4RAtk79EAvg |
|---|---|
| Name | CUMYL-CHSINACA |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 37057 |
| Lot Number | 0660620-3 |
| Cell Type | Neat on gold post |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H27N3O3S |
| InChI | InChI=1S/C23H27N3O3S/c1-23(2,17-11-5-3-6-12-17)24-22(27)21-19-15-9-10-16-20(19)26(25-21)30(28,29)18-13-7-4-8-14-18/h3,5-6,9-12,15-16,18H,4,7-8,13-14H2,1-2H3,(H,24,27) |
| InChIKey | ZNRPDVCQZGICAF-UHFFFAOYSA-N |
| Raman Corrections | Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source | Nd:YAG |
| SMILES | N(C(c1n[n](c2c1cccc2)S(C1CCCCC1)(=O)=O)=O)C(c1ccccc1)(C)C |
| Scans Performed | 1152 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | FT-Raman |