| SpectraBase Compound ID | 1pS2dqe6jtt |
|---|---|
| InChI | InChI=1S/C37H76O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-38-36-34-32-8-6-4-2/h3-37H2,1-2H3 |
| InChIKey | PMRCTAFTBKHUQL-UHFFFAOYSA-N |
| Mol Weight | 537.0 g/mol |
| Molecular Formula | C37H76O |
| Exact Mass | 536.589617 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4a9QcfNHbd |
|---|---|
| Name | Heptyl triacontyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 536.589617066 u |
| Formula | C37H76O |
| InChI | InChI=1S/C37H76O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-38-36-34-32-8-6-4-2/h3-37H2,1-2H3 |
| InChIKey | PMRCTAFTBKHUQL-UHFFFAOYSA-N |
| Molecular Weight | 537.014 g/mol |
| SMILES | C(COCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC |