| SpectraBase Compound ID | 49sieJiJJpz |
|---|---|
| InChI | InChI=1S/C15H21ClN2O3/c1-2-3-4-5-6-7-8-15(19)17-14-11-12(18(20)21)9-10-13(14)16/h9-11H,2-8H2,1H3,(H,17,19) |
| InChIKey | SGNPLLRJIWTAET-UHFFFAOYSA-N |
| Mol Weight | 312.8 g/mol |
| Molecular Formula | C15H21ClN2O3 |
| Exact Mass | 312.12407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Das6dDegCf |
|---|---|
| Name | 2'-Chloro-5'-nitrononananilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.124070241 u |
| Formula | C15H21ClN2O3 |
| InChI | InChI=1S/C15H21ClN2O3/c1-2-3-4-5-6-7-8-15(19)17-14-11-12(18(20)21)9-10-13(14)16/h9-11H,2-8H2,1H3,(H,17,19) |
| InChIKey | SGNPLLRJIWTAET-UHFFFAOYSA-N |
| Molecular Weight | 312.797 g/mol |
| SMILES | N(C1=C(C=CC(=C1)N(=O)=O)Cl)C(CCCCCCCC)=O |