| SpectraBase Compound ID | LcExRvQQkr7 |
|---|---|
| InChI | InChI=1S/C35H70O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(36)4-2/h3-34H2,1-2H3 |
| InChIKey | RXWTVGZHEIXVLE-UHFFFAOYSA-N |
| Mol Weight | 506.9 g/mol |
| Molecular Formula | C35H70O |
| Exact Mass | 506.542667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iz3MSINexKD |
|---|---|
| Name | Pentatriacontan-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 506.542666873 u |
| Formula | C35H70O |
| InChI | InChI=1S/C35H70O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(36)4-2/h3-34H2,1-2H3 |
| InChIKey | RXWTVGZHEIXVLE-UHFFFAOYSA-N |
| Molecular Weight | 506.944 g/mol |
| SMILES | C(CCC(CC)=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |