| SpectraBase Compound ID | AqAhyK19Mow |
|---|---|
| InChI | InChI=1S/C13H17NO3S/c1-9(14-8-18)5-10-6-12(16-3)13(17-4)7-11(10)15-2/h6-7,9H,5H2,1-4H3 |
| InChIKey | HBMSCJMQVKLKNV-UHFFFAOYSA-N |
| Mol Weight | 267.34 g/mol |
| Molecular Formula | C13H17NO3S |
| Exact Mass | 267.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | cczdiEWnKg |
|---|---|
| Name | 2,4,5-Trimethoxyamphetamine isothiocyanat |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.092914582 u |
| Formula | C13H17NO3S |
| InChI | InChI=1S/C13H17NO3S/c1-9(14-8-18)5-10-6-12(16-3)13(17-4)7-11(10)15-2/h6-7,9H,5H2,1-4H3 |
| InChIKey | HBMSCJMQVKLKNV-UHFFFAOYSA-N |
| Molecular Weight | 267.343 g/mol |
| SMILES | C1(=C(C=C(C(=C1)OC)OC)OC)CC(N=C=S)C |