| SpectraBase Compound ID | INQ9ZWM8iYo |
|---|---|
| InChI | InChI=1S/C14H13NO3S/c1-10-3-6-12(7-4-10)19-14-8-5-11(18-2)9-13(14)15(16)17/h3-9H,1-2H3 |
| InChIKey | LALMKMVZMZTJGB-UHFFFAOYSA-N |
| Mol Weight | 275.32 g/mol |
| Molecular Formula | C14H13NO3S |
| Exact Mass | 275.061614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8SsgDRa5ise |
|---|---|
| Name | (4-Methoxy-2-nitrophenyl)(4-methylphenyl) sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.061614454 u |
| Formula | C14H13NO3S |
| InChI | InChI=1S/C14H13NO3S/c1-10-3-6-12(7-4-10)19-14-8-5-11(18-2)9-13(14)15(16)17/h3-9H,1-2H3 |
| InChIKey | LALMKMVZMZTJGB-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C=C1)OC)N(=O)=O)SC1=CC=C(C)C=C1 |