| SpectraBase Compound ID | BV4kQLdYkd3 |
|---|---|
| InChI | InChI=1S/C15H16N2OS/c16-14-13(11-8-4-5-9-12(11)19-14)15(18)17-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,16H2,(H,17,18) |
| InChIKey | LQUUHYBNHKLHAB-UHFFFAOYSA-N |
| Mol Weight | 272.37 g/mol |
| Molecular Formula | C15H16N2OS |
| Exact Mass | 272.098334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ucYtzcByzV |
|---|---|
| Name | 2-Amino-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.098334316 u |
| Formula | C15H16N2OS |
| InChI | InChI=1S/C15H16N2OS/c16-14-13(11-8-4-5-9-12(11)19-14)15(18)17-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,16H2,(H,17,18) |
| InChIKey | LQUUHYBNHKLHAB-UHFFFAOYSA-N |
| SMILES | C1=2SC(=C(C2CCCC1)C(=O)NC1=CC=CC=C1)N |