| SpectraBase Compound ID | BiYblkHYfL7 |
|---|---|
| InChI | InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 |
| InChIKey | OROGSEYTTFOCAN-DNJOTXNNSA-N |
| Mol Weight | 299.37 g/mol |
| Molecular Formula | C18H21NO3 |
| Exact Mass | 299.152144 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JLOIGGpiMdl |
|---|---|
| Name | Codeine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.152143537 u |
| Formula | C18H21NO3 |
| InChI | InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 |
| InChIKey | OROGSEYTTFOCAN-DNJOTXNNSA-N |
| SMILES | O[C@@]1([C@]2([C@@]34C=5C(=C(OC)C=CC5C[C@]([C@@]4(C=C1)[H])(N(CC3)C)[H])O2)[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.853478 |