| SpectraBase Compound ID | 52rbkGhMGI6 |
|---|---|
| InChI | InChI=1S/C17H17NO3S/c1-21-17(20)14-12-9-5-6-10-13(12)22-16(14)18-15(19)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,19) |
| InChIKey | IENRFPGDTRVDHK-UHFFFAOYSA-N |
| Mol Weight | 315.39 g/mol |
| Molecular Formula | C17H17NO3S |
| Exact Mass | 315.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7WoFoMylUVi |
|---|---|
| Name | Methyl 2-(benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.092914582 u |
| Formula | C17H17NO3S |
| InChI | InChI=1S/C17H17NO3S/c1-21-17(20)14-12-9-5-6-10-13(12)22-16(14)18-15(19)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,19) |
| InChIKey | IENRFPGDTRVDHK-UHFFFAOYSA-N |
| SMILES | N(C1=C(C=2CCCCC2S1)C(=O)OC)C(=O)C1=CC=CC=C1 |