| SpectraBase Compound ID | 1XQq7jFsVQT |
|---|---|
| InChI | InChI=1S/C15H13NO2S/c1-16(14(17)12-8-4-2-5-9-12)15(18)19-13-10-6-3-7-11-13/h2-11H,1H3 |
| InChIKey | ZOEVGZGDOAYMLJ-UHFFFAOYSA-N |
| Mol Weight | 271.33 g/mol |
| Molecular Formula | C15H13NO2S |
| Exact Mass | 271.0667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1vjyoYzGlVP |
|---|---|
| Name | Phenyl N-benzoyl-N-methyl-thiooxocarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.066699835 u |
| Formula | C15H13NO2S |
| InChI | InChI=1S/C15H13NO2S/c1-16(14(17)12-8-4-2-5-9-12)15(18)19-13-10-6-3-7-11-13/h2-11H,1H3 |
| InChIKey | ZOEVGZGDOAYMLJ-UHFFFAOYSA-N |
| SMILES | C1(SC(N(C(C2=CC=CC=C2)=O)C)=O)=CC=CC=C1 |