| SpectraBase Compound ID | LRafoVgqJGh |
|---|---|
| InChI | InChI=1S/C16H22ClNO3/c1-2-3-12-21-16(20)11-7-6-10-15(19)18-14-9-5-4-8-13(14)17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,19) |
| InChIKey | GEGWFNKGRZEOJN-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 | 4mCSw1frpqX |
|---|---|
| Name | Adipic acid, monoamide, N-(2-chlorophenyl)-, butyl 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/c1-2-3-12-21-16(20)11-7-6-10-15(19)18-14-9-5-4-8-13(14)17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,19) |
| InChIKey | GEGWFNKGRZEOJN-UHFFFAOYSA-N |
| Molecular Weight | 311.809 g/mol |
| SMILES | C(CCCC(=O)NC1=C(C=CC=C1)Cl)C(OCCCC)=O |