| SpectraBase Compound ID | WQg60r1zl |
|---|---|
| InChI | InChI=1S/C15H20ClNO3/c1-2-3-4-11-20-14(18)9-10-17-15(19)12-5-7-13(16)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,17,19) |
| InChIKey | AEPLOPPDIMQBKI-UHFFFAOYSA-N |
| Mol Weight | 297.78 g/mol |
| Molecular Formula | C15H20ClNO3 |
| Exact Mass | 297.113171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dsr9LxlSTYe |
|---|---|
| Name | .beta.-Alanine, N-(4-chlorobenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.113171205 u |
| Formula | C15H20ClNO3 |
| InChI | InChI=1S/C15H20ClNO3/c1-2-3-4-11-20-14(18)9-10-17-15(19)12-5-7-13(16)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,17,19) |
| InChIKey | AEPLOPPDIMQBKI-UHFFFAOYSA-N |
| Molecular Weight | 297.782 g/mol |
| SMILES | C1=CC(=CC=C1C(NCCC(OCCCCC)=O)=O)Cl |