![Methyl (2S)-2-[N-(benzyloxycarbonyl)amino]-4-hydroxybutyrate](/api/spectrum/EPoa82Pv86Z/structure.png?h=300&w=458 "Methyl (2S)-2-[N-(benzyloxycarbonyl)amino]-4-hydroxybutyrate")
| SpectraBase Compound ID | 8kdqrufv73d |
|---|---|
| InChI | InChI=1S/C13H17NO5/c1-18-12(16)11(7-8-15)14-13(17)19-9-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,14,17)/t11-/m0/s1 |
| InChIKey | JVXZHIGNNGLZSZ-NSHDSACASA-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 | EPoa82Pv86Z |
|---|---|
| Name | Methyl (2S)-2-[N-(benzyloxycarbonyl)amino]-4-hydroxybutyrate |
| 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/c1-18-12(16)11(7-8-15)14-13(17)19-9-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,14,17)/t11-/m0/s1 |
| InChIKey | JVXZHIGNNGLZSZ-NSHDSACASA-N |
| Molecular Weight | 267.281 g/mol |
| SMILES | C([C@](CCO)(NC(=O)OCC=1C=CC=CC1)[H])(=O)OC |