| SpectraBase Spectrum ID |
q25HEeeOls |
| Name |
90% Cocaine HCl /1 0%mannit ol ink br(+ /-3%) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
521.202774053 u |
| Formula |
C23H36ClNO10 |
| InChI |
InChI=1S/C17H21NO4.C6H14O6.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;7-1-3(9)5(11)6(12)4(10)2-8;/h3-7,12-15H,8-10H2,1-2H3;3-12H,1-2H2;1H/t12-,13+,14-,15+;3-,4-,5-,6-;/m01./s1 |
| InChIKey |
UOIVNNFCBWATQK-XOFJQQSVSA-N |
| SMILES |
OC[C@]([C@]([C@@]([C@@](CO)(O)[H])(O)[H])(O)[H])(O)[H].C=1C=C(C(O[C@@]2([C@@]([C@]3(CC[C@@](C2)(N3C)[H])[H])(C(=O)OC)[H])[H])=O)C=CC1.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.990439 |
