| SpectraBase Compound ID | GoRWVR9IG2R |
|---|---|
| InChI | InChI=1S/C13H19NO3S/c1-9(14-8-15)5-10-6-12(17-3)13(18-4)7-11(10)16-2/h6-9H,5H2,1-4H3,(H,14,15) |
| InChIKey | GHDWNAAVGAOWMS-UHFFFAOYSA-N |
| Mol Weight | 269.36 g/mol |
| Molecular Formula | C13H19NO3S |
| Exact Mass | 269.108565 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | e2GbPaNaj6 |
|---|---|
| Name | 2,5-Dimethoxy-4-methylthioamphetamine form |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.108564647 u |
| Formula | C13H19NO3S |
| InChI | InChI=1S/C13H19NO3S/c1-9(14-8-15)5-10-6-12(17-3)13(18-4)7-11(10)16-2/h6-9H,5H2,1-4H3,(H,14,15) |
| InChIKey | GHDWNAAVGAOWMS-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=C(C1)OC)SC)OC)CC(NC=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818932 |