| SpectraBase Compound ID | 2ive2KnClpg |
|---|---|
| InChI | InChI=1S/C17H23NO2.C4H4O4/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;5-3(6)1-2-4(7)8/h5-8,10-12,15H,4,9,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChIKey | PMBFJKOESQBPHB-WLHGVMLRSA-N |
| Mol Weight | 389.45 g/mol |
| Molecular Formula | C21H27NO6 |
| Exact Mass | 389.183838 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CmbHskUKoXE |
|---|---|
| Name | Tilidine fumarate in kbr |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.183837587 u |
| Formula | C21H27NO6 |
| InChI | InChI=1S/C17H23NO2.C4H4O4/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;5-3(6)1-2-4(7)8/h5-8,10-12,15H,4,9,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChIKey | PMBFJKOESQBPHB-WLHGVMLRSA-N |
| SMILES | C=1C(C(C2=CC=CC=C2)(C(=O)OCC)CCC1)N(C)C.OC(\C=C\C(=O)O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.75684 |