![2-[N-[1,4-Benzodioxan-2-methyl]]aminoethanethiosulfuric acid](/api/spectrum/9qTAvBnuxGg/structure.png?h=300&w=458 "2-[N-[1,4-Benzodioxan-2-methyl]]aminoethanethiosulfuric acid")
| SpectraBase Compound ID | 1i8Bp27dv3o |
|---|---|
| InChI | InChI=1S/C11H15NO5S2/c13-19(14,15)18-6-5-12-7-9-8-16-10-3-1-2-4-11(10)17-9/h1-4,9,12H,5-8H2,(H,13,14,15) |
| InChIKey | FOEMIAMHKKOCBR-UHFFFAOYSA-N |
| Mol Weight | 305.36 g/mol |
| Molecular Formula | C11H15NO5S2 |
| Exact Mass | 305.039165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9qTAvBnuxGg |
|---|---|
| Name | 2-[N-[1,4-Benzodioxan-2-methyl]]aminoethanethiosulfuric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.039164930 u |
| Formula | C11H15NO5S2 |
| InChI | InChI=1S/C11H15NO5S2/c13-19(14,15)18-6-5-12-7-9-8-16-10-3-1-2-4-11(10)17-9/h1-4,9,12H,5-8H2,(H,13,14,15) |
| InChIKey | FOEMIAMHKKOCBR-UHFFFAOYSA-N |
| Molecular Weight | 305.363 g/mol |
| SMILES | C(SS(O)(=O)=O)CNCC1COC2=C(O1)C=CC=C2 |