| SpectraBase Compound ID | KcZf55ifcWH |
|---|---|
| InChI | InChI=1S/C13H17NO5/c1-8(15)14-10(13(16)17)6-9-4-5-11(18-2)12(7-9)19-3/h4-5,7,10H,6H2,1-3H3,(H,14,15)(H,16,17)/t10-/m1/s1 |
| InChIKey | CDJLVVKXGZXTPW-SNVBAGLBSA-N |
| Mol Weight | 267.28 g/mol |
| Molecular Formula | C13H17NO5 |
| Exact Mass | 267.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5OuFqsW4r0 |
|---|---|
| Name | N-Acetyl-3-(3,4-dimethoxyphenyl)-D-alanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.110672646 u |
| Formula | C13H17NO5 |
| InChI | InChI=1S/C13H17NO5/c1-8(15)14-10(13(16)17)6-9-4-5-11(18-2)12(7-9)19-3/h4-5,7,10H,6H2,1-3H3,(H,14,15)(H,16,17)/t10-/m1/s1 |
| InChIKey | CDJLVVKXGZXTPW-SNVBAGLBSA-N |
| Molecular Weight | 267.281 g/mol |
| SMILES | [C@](C(=O)O)(NC(=O)C)(CC1=CC(OC)=C(C=C1)OC)[H] |