| SpectraBase Compound ID | FPPR9UF5EYQ |
|---|---|
| InChI | InChI=1S/C12H14ClNO3/c1-8-9(13)4-3-5-10(8)14-11(15)6-7-12(16)17-2/h3-5H,6-7H2,1-2H3,(H,14,15) |
| InChIKey | BDHNYHOVLQBBOM-UHFFFAOYSA-N |
| Mol Weight | 255.7 g/mol |
| Molecular Formula | C12H14ClNO3 |
| Exact Mass | 255.066221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AzKUgKkSVAh |
|---|---|
| Name | Methyl 3'-chloro-2'-methylsuccinanilate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.066221012 u |
| Formula | C12H14ClNO3 |
| InChI | InChI=1S/C12H14ClNO3/c1-8-9(13)4-3-5-10(8)14-11(15)6-7-12(16)17-2/h3-5H,6-7H2,1-2H3,(H,14,15) |
| InChIKey | BDHNYHOVLQBBOM-UHFFFAOYSA-N |
| Molecular Weight | 255.701 g/mol |
| SMILES | C1(=C(NC(=O)CCC(OC)=O)C=CC=C1Cl)C |