| SpectraBase Compound ID | C2tX77zdGTz |
|---|---|
| InChI | InChI=1S/C16H14N2O2S/c1-21-16(17-13-10-6-3-7-11-13)18-15(20)14(19)12-8-4-2-5-9-12/h2-11H,1H3,(H,17,18,20) |
| InChIKey | ZKXBAERUOZRCSZ-UHFFFAOYSA-N |
| Mol Weight | 298.36 g/mol |
| Molecular Formula | C16H14N2O2S |
| Exact Mass | 298.077599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9yUXwXOpqdZ |
|---|---|
| Name | Carbamimidothioic acid, N-(oxophenylacetyl)-N'-phenyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.077598871 u |
| Formula | C16H14N2O2S |
| InChI | InChI=1S/C16H14N2O2S/c1-21-16(17-13-10-6-3-7-11-13)18-15(20)14(19)12-8-4-2-5-9-12/h2-11H,1H3,(H,17,18,20) |
| InChIKey | ZKXBAERUOZRCSZ-UHFFFAOYSA-N |
| SMILES | C(N\C(=N\C=1C=CC=CC1)SC)(C(=O)C1=CC=CC=C1)=O |