![(S)-3-Hydroxy-5-oxohexanoic acid - (S)-[2'-(acetylamino)ethyl] thioester](/api/spectrum/1vjUOlbIOVV/structure.png?h=300&w=458 "(S)-3-Hydroxy-5-oxohexanoic acid - (S)-[2'-(acetylamino)ethyl] thioester")
| SpectraBase Compound ID | 6OMHjsatzb1 |
|---|---|
| InChI | InChI=1S/C10H17NO4S/c1-7(12)5-9(14)6-10(15)16-4-3-11-8(2)13/h9,14H,3-6H2,1-2H3,(H,11,13)/t9-/m0/s1 |
| InChIKey | YSBZUHYQPIXQPH-VIFPVBQESA-N |
| Mol Weight | 247.31 g/mol |
| Molecular Formula | C10H17NO4S |
| Exact Mass | 247.087829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1vjUOlbIOVV |
|---|---|
| Name | (S)-3-Hydroxy-5-oxohexanoic acid - (S)-[2'-(acetylamino)ethyl] thioester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.087829201 u |
| Formula | C10H17NO4S |
| InChI | InChI=1S/C10H17NO4S/c1-7(12)5-9(14)6-10(15)16-4-3-11-8(2)13/h9,14H,3-6H2,1-2H3,(H,11,13)/t9-/m0/s1 |
| InChIKey | YSBZUHYQPIXQPH-VIFPVBQESA-N |
| Molecular Weight | 247.309 g/mol |
| SMILES | C(NCCSC(C[C@@](O)(CC(C)=O)[H])=O)(C)=O |