![Anti-1,1-dimethylethyl 3-[(benzylamino)methyl]-3-hydroxybutanoate](/api/spectrum/6azwrmOxj3D/structure.png?h=300&w=458 "Anti-1,1-dimethylethyl 3-[(benzylamino)methyl]-3-hydroxybutanoate")
| SpectraBase Compound ID | 3rmm949xrWr |
|---|---|
| InChI | InChI=1S/C16H25NO3/c1-15(2,3)20-14(18)10-16(4,19)12-17-11-13-8-6-5-7-9-13/h5-9,17,19H,10-12H2,1-4H3 |
| InChIKey | YVOLNVQUDSRBEO-UHFFFAOYSA-N |
| Mol Weight | 279.38 g/mol |
| Molecular Formula | C16H25NO3 |
| Exact Mass | 279.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6azwrmOxj3D |
|---|---|
| Name | Anti-1,1-dimethylethyl 3-[(benzylamino)methyl]-3-hydroxybutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.183443666 u |
| Formula | C16H25NO3 |
| InChI | InChI=1S/C16H25NO3/c1-15(2,3)20-14(18)10-16(4,19)12-17-11-13-8-6-5-7-9-13/h5-9,17,19H,10-12H2,1-4H3 |
| InChIKey | YVOLNVQUDSRBEO-UHFFFAOYSA-N |
| Molecular Weight | 279.380 g/mol |
| SMILES | C(CC(O)(CNCC=1C=CC=CC1)C)(OC(C)(C)C)=O |