| SpectraBase Compound ID | 4u5vVC5GuNY |
|---|---|
| InChI | InChI=1S/C18H14OS/c1-13(19)14-9-11-16(12-10-14)20-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,1H3 |
| InChIKey | XAAMQPMMJVRDKJ-UHFFFAOYSA-N |
| Mol Weight | 278.37 g/mol |
| Molecular Formula | C18H14OS |
| Exact Mass | 278.076536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Bhi9k1zxcr |
|---|---|
| Name | 4-Acetylphenyl naphthyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.076536244 u |
| Formula | C18H14OS |
| InChI | InChI=1S/C18H14OS/c1-13(19)14-9-11-16(12-10-14)20-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,1H3 |
| InChIKey | XAAMQPMMJVRDKJ-UHFFFAOYSA-N |
| Molecular Weight | 278.369 g/mol |
| SMILES | C=1C=C(SC=2C=3C(C=CC2)=CC=CC3)C=CC1C(C)=O |