| SpectraBase Compound ID | KGo9QJ8k7ID |
|---|---|
| InChI | InChI=1S/C14H18ClNO3/c1-2-3-10-19-13(17)8-9-16-14(18)11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,18) |
| InChIKey | GQSWAGGIXFHPKC-UHFFFAOYSA-N |
| Mol Weight | 283.75 g/mol |
| Molecular Formula | C14H18ClNO3 |
| Exact Mass | 283.097521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKMwp4k3Hz6 |
|---|---|
| Name | .beta.-Alanine, N-(4-chlorobenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.097521141 u |
| Formula | C14H18ClNO3 |
| InChI | InChI=1S/C14H18ClNO3/c1-2-3-10-19-13(17)8-9-16-14(18)11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,18) |
| InChIKey | GQSWAGGIXFHPKC-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C(NCCC(OCCCC)=O)=O)Cl |