| SpectraBase Compound ID | 3Z8I6MKVW6i |
|---|---|
| InChI | InChI=1S/C17H24ClNO3/c1-3-4-5-6-9-12-22-17(21)13(2)19-16(20)14-10-7-8-11-15(14)18/h7-8,10-11,13H,3-6,9,12H2,1-2H3,(H,19,20) |
| InChIKey | CYUVDTMTBCCBQE-UHFFFAOYSA-N |
| Mol Weight | 325.84 g/mol |
| Molecular Formula | C17H24ClNO3 |
| Exact Mass | 325.144471 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Elooo4xR7pj |
|---|---|
| Name | L-Alanine, N-(2-chlorobenzoyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.144471334 u |
| Formula | C17H24ClNO3 |
| InChI | InChI=1S/C17H24ClNO3/c1-3-4-5-6-9-12-22-17(21)13(2)19-16(20)14-10-7-8-11-15(14)18/h7-8,10-11,13H,3-6,9,12H2,1-2H3,(H,19,20) |
| InChIKey | CYUVDTMTBCCBQE-UHFFFAOYSA-N |
| Molecular Weight | 325.836 g/mol |
| SMILES | C1=CC=CC(=C1C(NC(C(OCCCCCCC)=O)C)=O)Cl |