| SpectraBase Compound ID | Le8tyBQ2rmZ |
|---|---|
| InChI | InChI=1S/C17H21NO3/c1-3-21-17(20)13(2)6-4-5-7-16(19)15-10-8-14(12-18)9-11-15/h8-11,16,19H,2-7H2,1H3/t16-/m0/s1 |
| InChIKey | APHYUPRGTIBEIE-INIZCTEOSA-N |
| Mol Weight | 287.36 g/mol |
| Molecular Formula | C17H21NO3 |
| Exact Mass | 287.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EkAm1JDKjdp |
|---|---|
| Name | (S)-Ethyl 7-(4-cyanophenyl)-7-hydroxy-2-methyleneheptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.152143537 u |
| Formula | C17H21NO3 |
| InChI | InChI=1S/C17H21NO3/c1-3-21-17(20)13(2)6-4-5-7-16(19)15-10-8-14(12-18)9-11-15/h8-11,16,19H,2-7H2,1H3/t16-/m0/s1 |
| InChIKey | APHYUPRGTIBEIE-INIZCTEOSA-N |
| SMILES | C(C(=C)CCCC[C@@](C=1C=CC(C#N)=CC1)(O)[H])(=O)OCC |