| SpectraBase Compound ID | FV2MxM3MXJd |
|---|---|
| InChI | InChI=1S/C17H16N2O2/c1-11-8-9-13(21-3)10-16(11)19-12(2)18-15-7-5-4-6-14(15)17(19)20/h4-10H,1-3H3 |
| InChIKey | SBWWSAQUCHXRDW-UHFFFAOYSA-N |
| Mol Weight | 280.33 g/mol |
| Molecular Formula | C17H16N2O2 |
| Exact Mass | 280.121178 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hoxayyn542l |
|---|---|
| Name | 5'-Methoxymethaqualone (metabolite) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.121177761 u |
| Formula | C17H16N2O2 |
| InChI | InChI=1S/C17H16N2O2/c1-11-8-9-13(21-3)10-16(11)19-12(2)18-15-7-5-4-6-14(15)17(19)20/h4-10H,1-3H3 |
| InChIKey | SBWWSAQUCHXRDW-UHFFFAOYSA-N |
| SMILES | c1ccc2c(c1)C(N(C(=N2)C)c1cc(ccc1C)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813438 |