| SpectraBase Compound ID | FO1opJeBi0O |
|---|---|
| InChI | InChI=1S/C17H21NO4.C6H12O6.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;7-1-2(8)4(10)6(12)5(11)3(1)9;/h3-7,12-15H,8-10H2,1-2H3;1-12H;1H/t12-,13+,14-,15+;1-,2-,3-,4+,5-,6-;/m0../s1 |
| InChIKey | XEZPIMJYWPHQRU-RFZXOIGFSA-N |
| Mol Weight | 519.98 g/mol |
| Molecular Formula | C23H34ClNO10 |
| Exact Mass | 519.187124 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | E9Iae1gZX5t |
|---|---|
| Name | 90% Cocaine HCl /1 0%inosit ol ink br(+ /-3%) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 519.187123989 u |
| Formula | C23H34ClNO10 |
| InChI | InChI=1S/C17H21NO4.C6H12O6.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;7-1-2(8)4(10)6(12)5(11)3(1)9;/h3-7,12-15H,8-10H2,1-2H3;1-12H;1H/t12-,13+,14-,15+;1-,2-,3-,4+,5-,6-;/m0../s1 |
| InChIKey | XEZPIMJYWPHQRU-RFZXOIGFSA-N |
| SMILES | Cl.C1[C@]2(C[C@@]([C@@]([C@@](C1)(N2C)[H])(C(OC)=O)[H])(OC(C=1C=CC=CC1)=O)[H])[H].O[C@]1([C@@]([C@]([C@@]([C@]([C@]1(O)[H])(O)[H])(O)[H])(O)[H])(O)[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.987318 |