| SpectraBase Compound ID | DUAxm2Ot4MS |
|---|---|
| InChI | InChI=1S/C14H14N2S/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17) |
| InChIKey | NZPBFKQKPZEPED-UHFFFAOYSA-N |
| Mol Weight | 242.34 g/mol |
| Molecular Formula | C14H14N2S |
| Exact Mass | 242.08777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30Hwv4v5UQF |
|---|---|
| Name | Carbanilide, 4-methylthio- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.087769633 u |
| Formula | C14H14N2S |
| InChI | InChI=1S/C14H14N2S/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17) |
| InChIKey | NZPBFKQKPZEPED-UHFFFAOYSA-N |
| Molecular Weight | 242.340 g/mol |
| SMILES | C1=C(C=CC=C1)NC(=S)NC1=CC=C(C)C=C1 |