| SpectraBase Compound ID | 9FxGY2ge5gv |
|---|---|
| InChI | InChI=1S/C15H21NO4/c1-4-5-9-20-15(18)11(2)16-14(17)12-7-6-8-13(10-12)19-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,16,17) |
| InChIKey | GVDHEXQUZZYHQX-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C15H21NO4 |
| Exact Mass | 279.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9RNFfAvSEHn |
|---|---|
| Name | D-Alanine, N-(3-anisoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.147058156 u |
| Formula | C15H21NO4 |
| InChI | InChI=1S/C15H21NO4/c1-4-5-9-20-15(18)11(2)16-14(17)12-7-6-8-13(10-12)19-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,16,17) |
| InChIKey | GVDHEXQUZZYHQX-UHFFFAOYSA-N |
| Molecular Weight | 279.336 g/mol |
| SMILES | C(NC(=O)C1=CC(=CC=C1)OC)(C(OCCCC)=O)C |