| SpectraBase Compound ID | DxIksBawxVJ |
|---|---|
| InChI | InChI=1S/C12H17NO3/c1-8(13-2)12(14)9-5-6-10(15-3)11(7-9)16-4/h5-8,13H,1-4H3 |
| InChIKey | VFOPXGBJCFJIFX-UHFFFAOYSA-N |
| Mol Weight | 223.27 g/mol |
| Molecular Formula | C12H17NO3 |
| Exact Mass | 223.120843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2iBGuMWjmjM |
|---|---|
| Name | 3,4-Dimethoxymethcathinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.120843408 u |
| Formula | C12H17NO3 |
| InChI | InChI=1S/C12H17NO3/c1-8(13-2)12(14)9-5-6-10(15-3)11(7-9)16-4/h5-8,13H,1-4H3 |
| InChIKey | VFOPXGBJCFJIFX-UHFFFAOYSA-N |
| Molecular Weight | 223.272 g/mol |
| SMILES | C(C(NC)C)(=O)C1=CC(OC)=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965188 |