| SpectraBase Compound ID | BLRIBdMXbKv |
|---|---|
| InChI | InChI=1S/C20H13NOS2/c22-19-18(24-20(23)21(19)17-8-2-1-3-9-17)13-14-10-11-15-6-4-5-7-16(15)12-14/h1-13H/b18-13- |
| InChIKey | ZXXZLGOFTGGZOG-AQTBWJFISA-N |
| Mol Weight | 347.45 g/mol |
| Molecular Formula | C20H13NOS2 |
| Exact Mass | 347.043856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K5Ss4Fcyyh |
|---|---|
| Name | Rhodanine, 5-(2-naphthylmethylene)-3-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.043856390 u |
| Formula | C20H13NOS2 |
| InChI | InChI=1S/C20H13NOS2/c22-19-18(24-20(23)21(19)17-8-2-1-3-9-17)13-14-10-11-15-6-4-5-7-16(15)12-14/h1-13H/b18-13- |
| InChIKey | ZXXZLGOFTGGZOG-AQTBWJFISA-N |
| Molecular Weight | 347.450 g/mol |
| SMILES | C1(=CC=CC=C1)N1C(\C(SC1=S)=C\C1=CC=C2C(C=CC=C2)=C1)=O |