| SpectraBase Compound ID | 18IUpFlbTD6 |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-17-12(15)9-5-8-11(14)13(16)10-6-3-2-4-7-10/h2-4,6-7,11,13-14,16H,5,8-9H2,1H3/t11-,13-/m0/s1 |
| InChIKey | ULBMKCVDLYYEMO-AAEUAGOBSA-N |
| Mol Weight | 238.28 g/mol |
| Molecular Formula | C13H18O4 |
| Exact Mass | 238.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ImTp59nQp5 |
|---|---|
| Name | Methyl (5S,6S)-6-phenyl-5,6-dihydroxyhexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.120509056 u |
| Formula | C13H18O4 |
| InChI | InChI=1S/C13H18O4/c1-17-12(15)9-5-8-11(14)13(16)10-6-3-2-4-7-10/h2-4,6-7,11,13-14,16H,5,8-9H2,1H3/t11-,13-/m0/s1 |
| InChIKey | ULBMKCVDLYYEMO-AAEUAGOBSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C(=O)(OC)CCC[C@@]([C@](C=1C=CC=CC1)(O)[H])(O)[H] |