| SpectraBase Compound ID | KUvSqXHLJ5k |
|---|---|
| InChI | InChI=1S/C30H54/c1-22(2)11-9-16-27(5)19-20-29(7)23(21-27)12-13-25-28(6)17-10-15-26(3,4)24(28)14-18-30(25,29)8/h22-25H,9-21H2,1-8H3 |
| InChIKey | MDHNGUIZZLNVNV-UHFFFAOYSA-N |
| Mol Weight | 414.8 g/mol |
| Molecular Formula | C30H54 |
| Exact Mass | 414.422552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | H4M1dWFuiYF |
|---|---|
| Name | Baccharane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.422551739 u |
| Formula | C30H54 |
| InChI | InChI=1S/C30H54/c1-22(2)11-9-16-27(5)19-20-29(7)23(21-27)12-13-25-28(6)17-10-15-26(3,4)24(28)14-18-30(25,29)8/h22-25H,9-21H2,1-8H3 |
| InChIKey | MDHNGUIZZLNVNV-UHFFFAOYSA-N |
| Molecular Weight | 414.762 g/mol |
| SMILES | C12(CCC3C(C2CCC2C1(CCC(C2)(C)CCCC(C)C)C)(CCCC3(C)C)C)C |