| SpectraBase Compound ID | BKJelLEP2Ue |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-12(8-9-15)13(2)10-16-11-14-6-4-3-5-7-14/h3-7,9,12-13H,8,10-11H2,1-2H3/t12-,13+/m0/s1 |
| InChIKey | GGGBMCAZWDVLIM-QWHCGFSZSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1M89Erfljt9 |
|---|---|
| Name | (+)-(3S,4S)-5-(benzyloxy)-3,4-dimethylpentanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-12(8-9-15)13(2)10-16-11-14-6-4-3-5-7-14/h3-7,9,12-13H,8,10-11H2,1-2H3/t12-,13+/m0/s1 |
| InChIKey | GGGBMCAZWDVLIM-QWHCGFSZSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(=O)C[C@@]([C@@](COCC=1C=CC=CC1)(C)[H])(C)[H] |