| SpectraBase Compound ID | 9vHxtrE0Tx3 |
|---|---|
| InChI | InChI=1S/C30H58/c1-10-30(9)21-20-28(27(8)19-12-15-24(4)5)29(30)22-26(7)18-13-17-25(6)16-11-14-23(2)3/h19,23-26,28-29H,10-18,20-22H2,1-9H3/b27-19+ |
| InChIKey | XOLVONFVLSRCQB-ZXVVBBHZSA-N |
| Mol Weight | 418.8 g/mol |
| Molecular Formula | C30H58 |
| Exact Mass | 418.453852 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGrHo8ofvrX |
|---|---|
| Name | 1,7-Cyclobotryococcene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.453851868 u |
| Formula | C30H58 |
| InChI | InChI=1S/C30H58/c1-10-30(9)21-20-28(27(8)19-12-15-24(4)5)29(30)22-26(7)18-13-17-25(6)16-11-14-23(2)3/h19,23-26,28-29H,10-18,20-22H2,1-9H3/b27-19+ |
| InChIKey | XOLVONFVLSRCQB-ZXVVBBHZSA-N |
| Molecular Weight | 418.794 g/mol |
| SMILES | C1(C(\C(=C\CCC(C)C)C)CCC1(CC)C)CC(CCCC(CCCC(C)C)C)C |