| SpectraBase Compound ID | 4OfZCiipMAk |
|---|---|
| InChI | InChI=1S/C14H11NOS/c1-17-14-9-13(16-15-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3 |
| InChIKey | LTJZGQGFEAQVQC-UHFFFAOYSA-N |
| Mol Weight | 241.31 g/mol |
| Molecular Formula | C14H11NOS |
| Exact Mass | 241.056135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LyTp0eMvrf2 |
|---|---|
| Name | 3-(Methylthio)-5-(2-naphthalenyl)isoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.056135151 u |
| Formula | C14H11NOS |
| InChI | InChI=1S/C14H11NOS/c1-17-14-9-13(16-15-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3 |
| InChIKey | LTJZGQGFEAQVQC-UHFFFAOYSA-N |
| Molecular Weight | 241.308 g/mol |
| SMILES | C1(=NOC(=C1)C=1C=C2C(=CC1)C=CC=C2)SC |