| SpectraBase Compound ID | BWa75KN2aCc |
|---|---|
| InChI | InChI=1S/C18H14ClNOS/c1-20(16-8-4-7-15(19)12-16)18(22)21-17-10-9-13-5-2-3-6-14(13)11-17/h2-12H,1H3 |
| InChIKey | PSJUUGOHJPCYSJ-UHFFFAOYSA-N |
| Mol Weight | 327.83 g/mol |
| Molecular Formula | C18H14ClNOS |
| Exact Mass | 327.048463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1zKIUEkQMwM |
|---|---|
| Name | m-Chloro-N-methylthiocarbanilic acid, o-2-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.048462948 u |
| Formula | C18H14ClNOS |
| InChI | InChI=1S/C18H14ClNOS/c1-20(16-8-4-7-15(19)12-16)18(22)21-17-10-9-13-5-2-3-6-14(13)11-17/h2-12H,1H3 |
| InChIKey | PSJUUGOHJPCYSJ-UHFFFAOYSA-N |
| Molecular Weight | 327.829 g/mol |
| SMILES | C=1C=C(Cl)C=C(C1)N(C)C(=S)OC=1C=CC=2C=CC=CC2C1 |