| SpectraBase Compound ID | Li7QbMzcMDv |
|---|---|
| InChI | InChI=1S/C18H18O3/c1-2-17(14-20-13-15-9-5-3-6-10-15)21-18(19)16-11-7-4-8-12-16/h2-12,17H,1,13-14H2/t17-/m0/s1 |
| InChIKey | FKSOLTBCIVOEPC-KRWDZBQOSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C18H18O3 |
| Exact Mass | 282.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L63kMZAR7KI |
|---|---|
| Name | (2S)-3-Benzoyloxy-4-benzyloxy-1-butene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.125594437 u |
| Formula | C18H18O3 |
| InChI | InChI=1S/C18H18O3/c1-2-17(14-20-13-15-9-5-3-6-10-15)21-18(19)16-11-7-4-8-12-16/h2-12,17H,1,13-14H2/t17-/m0/s1 |
| InChIKey | FKSOLTBCIVOEPC-KRWDZBQOSA-N |
| SMILES | C(O[C@@](C=C)(COCC=1C=CC=CC1)[H])(=O)C1=CC=CC=C1 |