| SpectraBase Compound ID | CKFnaTxxiUr |
|---|---|
| InChI | InChI=1S/C20H19NOS/c23-20(21-9-11-22-12-10-21)14-15-5-6-17-8-7-16-3-1-2-4-18(16)19(17)13-15/h1-8,13H,9-12,14H2 |
| InChIKey | SRGPODGGJJWENP-UHFFFAOYSA-N |
| Mol Weight | 321.44 g/mol |
| Molecular Formula | C20H19NOS |
| Exact Mass | 321.118735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8eOZBPEb2h0 |
|---|---|
| Name | 3-Phenanthryfacetothiomorpholide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.118735409 u |
| Formula | C20H19NOS |
| InChI | InChI=1S/C20H19NOS/c23-20(21-9-11-22-12-10-21)14-15-5-6-17-8-7-16-3-1-2-4-18(16)19(17)13-15/h1-8,13H,9-12,14H2 |
| InChIKey | SRGPODGGJJWENP-UHFFFAOYSA-N |
| Molecular Weight | 321.438 g/mol |
| SMILES | C(C(=S)N1CCOCC1)C=1C=CC=2C(C1)=C1C(=CC2)C=CC=C1 |