![3-t-Butoxycarbonylaminobenzo[b]thiophene](/api/spectrum/JHBzAxSqmaa/structure.png?h=300&w=458 "3-t-Butoxycarbonylaminobenzo[b]thiophene")
| SpectraBase Compound ID | 2BS6CpN0qsj |
|---|---|
| InChI | InChI=1S/C13H15NO2S/c1-13(2,3)16-12(15)14-10-8-17-11-7-5-4-6-9(10)11/h4-8H,1-3H3,(H,14,15) |
| InChIKey | FIERANRXVQECJU-UHFFFAOYSA-N |
| Mol Weight | 249.33 g/mol |
| Molecular Formula | C13H15NO2S |
| Exact Mass | 249.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JHBzAxSqmaa |
|---|---|
| Name | 3-T-Butoxycarbonylaminobenzo[B]thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.082349899 u |
| Formula | C13H15NO2S |
| InChI | InChI=1S/C13H15NO2S/c1-13(2,3)16-12(15)14-10-8-17-11-7-5-4-6-9(10)11/h4-8H,1-3H3,(H,14,15) |
| InChIKey | FIERANRXVQECJU-UHFFFAOYSA-N |
| Molecular Weight | 249.328 g/mol |
| SMILES | C=12C(C(=CS2)NC(=O)OC(C)(C)C)=CC=CC1 |