| SpectraBase Compound ID | 1hBAhUtWtmg |
|---|---|
| InChI | InChI=1S/C14H21NO3/c1-2-6-12(17)9-14(18)15-13(10-16)11-7-4-3-5-8-11/h3-5,7-8,12-13,16-17H,2,6,9-10H2,1H3,(H,15,18)/t12-,13-/m0/s1 |
| InChIKey | NFCLMTMWRADMOJ-STQMWFEESA-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 | Co3u1wv2UG5 |
|---|---|
| Name | (1'R,3S)-3-Hydroxy-N-(2-hydroxy-1-phenylethyl)-hexanamide |
| 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/c1-2-6-12(17)9-14(18)15-13(10-16)11-7-4-3-5-8-11/h3-5,7-8,12-13,16-17H,2,6,9-10H2,1H3,(H,15,18)/t12-,13-/m0/s1 |
| InChIKey | NFCLMTMWRADMOJ-STQMWFEESA-N |
| Molecular Weight | 251.326 g/mol |
| SMILES | C(N[C@](C=1C=CC=CC1)(CO)[H])(C[C@@](O)(CCC)[H])=O |