| SpectraBase Compound ID | EUmBYFLQEWY |
|---|---|
| InChI | InChI=1S/C20H27NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19,22H,4,15-16H2,1-3H3 |
| InChIKey | WKQWJEXZFBJISX-UHFFFAOYSA-N |
| Mol Weight | 297.44 g/mol |
| Molecular Formula | C20H27NO |
| Exact Mass | 297.209264 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LQ5E63sREdX |
|---|---|
| Name | Normethadol(.alpha.) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.209264492 u |
| Formula | C20H27NO |
| InChI | InChI=1S/C20H27NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19,22H,4,15-16H2,1-3H3 |
| InChIKey | WKQWJEXZFBJISX-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1)(C1=CC=CC=C1)(C(O)CC)CCN(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857033 |