| SpectraBase Compound ID | HxTQbtAfmVx |
|---|---|
| InChI | InChI=1S/C14H12ClNO2/c1-10-5-2-3-8-13(10)18-14(17)16-12-7-4-6-11(15)9-12/h2-9H,1H3,(H,16,17) |
| InChIKey | MEPJSPQXBJLITM-UHFFFAOYSA-N |
| Mol Weight | 261.71 g/mol |
| Molecular Formula | C14H12ClNO2 |
| Exact Mass | 261.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AMRjA8U6fpn |
|---|---|
| Name | Carbamic acid, N-(3-chlorophenyl)-, 2-tolyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.055656328 u |
| Formula | C14H12ClNO2 |
| InChI | InChI=1S/C14H12ClNO2/c1-10-5-2-3-8-13(10)18-14(17)16-12-7-4-6-11(15)9-12/h2-9H,1H3,(H,16,17) |
| InChIKey | MEPJSPQXBJLITM-UHFFFAOYSA-N |
| Molecular Weight | 261.708 g/mol |
| SMILES | C(OC1=CC=CC=C1C)(NC=1C=C(C=CC1)Cl)=O |