| SpectraBase Compound ID | 6JL4QOsup4w |
|---|---|
| InChI | InChI=1S/C14H13NO2S/c16-15(17)11-14(12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-10,14H,11H2 |
| InChIKey | FXZWBVKIRYXBPP-UHFFFAOYSA-N |
| Mol Weight | 259.32 g/mol |
| Molecular Formula | C14H13NO2S |
| Exact Mass | 259.0667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AhrGht0Uc2z |
|---|---|
| Name | 2-Nitro-1-phenylethyl phenyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.066699835 u |
| Formula | C14H13NO2S |
| InChI | InChI=1S/C14H13NO2S/c16-15(17)11-14(12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-10,14H,11H2 |
| InChIKey | FXZWBVKIRYXBPP-UHFFFAOYSA-N |
| SMILES | C(N(=O)=O)C(SC1=CC=CC=C1)C1=CC=CC=C1 |