| SpectraBase Compound ID | BTBxAIHuXUI |
|---|---|
| InChI | InChI=1S/C18H19NOS/c20-18(12-6-8-14-7-4-5-11-16(14)18)13-17(21)19-15-9-2-1-3-10-15/h1-5,7,9-11,20H,6,8,12-13H2,(H,19,21) |
| InChIKey | BSBGRYAEYGZFGF-UHFFFAOYSA-N |
| Mol Weight | 297.42 g/mol |
| Molecular Formula | C18H19NOS |
| Exact Mass | 297.118735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7i8OYSlTV8s |
|---|---|
| Name | (R,S)-2-(1-Hydroxy-1,2,3,4-tetrahydro-1-naphthyl)-N-phenylthioacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.118735409 u |
| Formula | C18H19NOS |
| InChI | InChI=1S/C18H19NOS/c20-18(12-6-8-14-7-4-5-11-16(14)18)13-17(21)19-15-9-2-1-3-10-15/h1-5,7,9-11,20H,6,8,12-13H2,(H,19,21) |
| InChIKey | BSBGRYAEYGZFGF-UHFFFAOYSA-N |
| SMILES | C1(CC(NC2=CC=CC=C2)=S)(C2=C(C=CC=C2)CCC1)O |