| SpectraBase Compound ID | CWWjEV8Pxx8 |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-13-16-20(23)21(24-18(2)22)17-19-14-11-10-12-15-19/h10-12,14-15,21H,3-9,13,16-17H2,1-2H3/t21-/m0/s1 |
| InChIKey | UHBYNLBPGXODKN-NRFANRHFSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21xIUSWXA3u |
|---|---|
| Name | (S)-1-Phenyl-2-acetoxy-3-tridecanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.235144887 u |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-13-16-20(23)21(24-18(2)22)17-19-14-11-10-12-15-19/h10-12,14-15,21H,3-9,13,16-17H2,1-2H3/t21-/m0/s1 |
| InChIKey | UHBYNLBPGXODKN-NRFANRHFSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | [C@](OC(=O)C)(C(=O)CCCCCCCCCC)(CC=1C=CC=CC1)[H] |