| SpectraBase Compound ID | 9EQXNbOEf5P |
|---|---|
| InChI | InChI=1S/C14H21NO3/c1-10(13(11(2)16)14(17)18-3)15-9-12-7-5-4-6-8-12/h4-8,10-11,13,15-16H,9H2,1-3H3 |
| InChIKey | APRSIIXBOBJUTL-UHFFFAOYSA-N |
| Mol Weight | 251.33 g/mol |
| Molecular Formula | C14H21NO3 |
| Exact Mass | 251.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 65LkTsB8q8o |
|---|---|
| Name | Anti,anti-methyl 2-(1-(benzylamino)ethyl)-3-hydroxybutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.152143537 u |
| Formula | C14H21NO3 |
| InChI | InChI=1S/C14H21NO3/c1-10(13(11(2)16)14(17)18-3)15-9-12-7-5-4-6-8-12/h4-8,10-11,13,15-16H,9H2,1-3H3 |
| InChIKey | APRSIIXBOBJUTL-UHFFFAOYSA-N |
| Molecular Weight | 251.326 g/mol |
| SMILES | C(C(=O)OC)(C(NCC1=CC=CC=C1)C)C(O)C |