| SpectraBase Compound ID | GfEd4F50xR2 |
|---|---|
| InChI | InChI=1S/C20H23NOS/c22-19(17-11-23-18-4-2-1-3-16(17)18)21-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,11,13-15H,5-10,12H2,(H,21,22)/t13-,14+,15-,20- |
| InChIKey | SBGBEWUZSRRNDK-PVGDPBLGSA-N |
| Mol Weight | 325.47 g/mol |
| Molecular Formula | C20H23NOS |
| Exact Mass | 325.150036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJT3WLOkBEZ |
|---|---|
| Name | N-(1-Adamantylmethyl)-1-benzothiophene-3-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.150035538 u |
| Formula | C20H23NOS |
| InChI | InChI=1S/C20H23NOS/c22-19(17-11-23-18-4-2-1-3-16(17)18)21-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,11,13-15H,5-10,12H2,(H,21,22)/t13-,14+,15-,20- |
| InChIKey | SBGBEWUZSRRNDK-PVGDPBLGSA-N |
| SMILES | N(C(C1=CSC2=C1C=CC=C2)=O)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |