| SpectraBase Compound ID | 2SIXrIWvrNj |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-18-27(6)19-17-24-23(5)25(28)15-16-26(24)29-27/h15-16,20-22,28H,7-14,17-19H2,1-6H3 |
| InChIKey | CUZJBNKZWVQOPX-UHFFFAOYSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9BDNG6pFxMW |
|---|---|
| Name | 5-Methyltocol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.349780719 u |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-18-27(6)19-17-24-23(5)25(28)15-16-26(24)29-27/h15-16,20-22,28H,7-14,17-19H2,1-6H3 |
| InChIKey | CUZJBNKZWVQOPX-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | C=12C(OC(CC2)(CCCC(CCCC(CCCC(C)C)C)C)C)=CC=C(C1C)O |