| SpectraBase Compound ID | KCT6HWlOLub |
|---|---|
| InChI | InChI=1S/C16H22ClNO3/c1-2-3-4-12-21-16(20)7-5-6-15(19)18-14-10-8-13(17)9-11-14/h8-11H,2-7,12H2,1H3,(H,18,19) |
| InChIKey | XVJMDFLNNMXDIL-UHFFFAOYSA-N |
| Mol Weight | 311.81 g/mol |
| Molecular Formula | C16H22ClNO3 |
| Exact Mass | 311.128821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JhjP2elSEmR |
|---|---|
| Name | Glutaric acid, monoamide, N-(4-chlorophenyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.128821269 u |
| Formula | C16H22ClNO3 |
| InChI | InChI=1S/C16H22ClNO3/c1-2-3-4-12-21-16(20)7-5-6-15(19)18-14-10-8-13(17)9-11-14/h8-11H,2-7,12H2,1H3,(H,18,19) |
| InChIKey | XVJMDFLNNMXDIL-UHFFFAOYSA-N |
| Molecular Weight | 311.809 g/mol |
| SMILES | CCCCCOC(CCCC(NC1=CC=C(C=C1)Cl)=O)=O |