| SpectraBase Compound ID | ByZjoJsloS1 |
|---|---|
| InChI | InChI=1S/C16H23NO5/c1-11(9-16(19)20)8-15(18)17-7-6-12-4-5-13(21-2)14(10-12)22-3/h4-5,10-11H,6-9H2,1-3H3,(H,17,18)(H,19,20) |
| InChIKey | MGJDABHOPKBQLG-UHFFFAOYSA-N |
| Mol Weight | 309.36 g/mol |
| Molecular Formula | C16H23NO5 |
| Exact Mass | 309.157623 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Kjy4lmKCzF |
|---|---|
| Name | 4-(3,4-Dimethoxyphenethylcarbamoyl)-3-methylbutyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.157622840 u |
| Formula | C16H23NO5 |
| InChI | InChI=1S/C16H23NO5/c1-11(9-16(19)20)8-15(18)17-7-6-12-4-5-13(21-2)14(10-12)22-3/h4-5,10-11H,6-9H2,1-3H3,(H,17,18)(H,19,20) |
| InChIKey | MGJDABHOPKBQLG-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC(=C1)CCNC(CC(CC(O)=O)C)=O)OC)OC |