![(3R)/(3S)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide](/api/spectrum/6ujC4Wbz8G5/structure.png?h=300&w=458 "(3R)/(3S)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide")
| SpectraBase Compound ID | GiZiso87rU1 |
|---|---|
| InChI | InChI=1S/C15H23NO2/c1-3-7-13(11-17)10-15(18)16-12(2)14-8-5-4-6-9-14/h4-6,8-9,12-13,17H,3,7,10-11H2,1-2H3,(H,16,18)/t12-,13?/m0/s1 |
| InChIKey | MGJIKEHZUBMVBV-UEWDXFNNSA-N |
| Mol Weight | 249.35 g/mol |
| Molecular Formula | C15H23NO2 |
| Exact Mass | 249.172879 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6ujC4Wbz8G5 |
|---|---|
| Name | (3R)/(3S)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H23NO2 |
| InChI | InChI=1S/C15H23NO2/c1-3-7-13(11-17)10-15(18)16-12(2)14-8-5-4-6-9-14/h4-6,8-9,12-13,17H,3,7,10-11H2,1-2H3,(H,16,18)/t12-,13?/m0/s1 |
| InChIKey | MGJIKEHZUBMVBV-UEWDXFNNSA-N |
| Instrument Name | GCMS |
| Ionization Type | EI |
| Molecular Weight | 249.354 g/mol |
| SMILES | OCC(CC(=O)N[C@@](C)(c1ccccc1)[H])CCC |
| SPLASH | splash10-0a4i-3900000000-754943726259d7b7f43e |
| Source of Spectrum | WO2020148787A1 |
| Wiley ID | 1879815 |