| SpectraBase Compound ID | JTFUscRO1he |
|---|---|
| InChI | InChI=1S/C11H17NO2S/c1-13-9-7-11(15-3)10(14-2)6-8(9)4-5-12/h6-7H,4-5,12H2,1-3H3 |
| InChIKey | UPZMYCMLLQTYEM-UHFFFAOYSA-N |
| Mol Weight | 227.32 g/mol |
| Molecular Formula | C11H17NO2S |
| Exact Mass | 227.098 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Kx1NSGVgnwG |
|---|---|
| Name | 2,5-Dimethoxy-4-methylthiophenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.097999963 u |
| Formula | C11H17NO2S |
| InChI | InChI=1S/C11H17NO2S/c1-13-9-7-11(15-3)10(14-2)6-8(9)4-5-12/h6-7H,4-5,12H2,1-3H3 |
| InChIKey | UPZMYCMLLQTYEM-UHFFFAOYSA-N |
| Molecular Weight | 227.322 g/mol |
| SMILES | NCCC=1C(=CC(=C(C1)OC)SC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.98308 |