| SpectraBase Compound ID | 2Mmka89vLZf |
|---|---|
| InChI | InChI=1S/C29H48/c1-25(2)17-14-21-27(5)19-12-10-8-9-11-13-20-28(6)23-16-24-29(7)22-15-18-26(3)4/h8-9,17-20,24H,10-16,21-23H2,1-7H3/b9-8+,27-19+,28-20+,29-24- |
| InChIKey | BBCQGYMUMKNTQE-UQOGDFRFSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C29H48 |
| Exact Mass | 396.375602 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8ebEDdgHOhP |
|---|---|
| Name | 10-Demethylsqualene |
| CAS Registry Number | 59681-06-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48 |
| InChI | InChI=1S/C29H48/c1-25(2)17-14-21-27(5)19-12-10-8-9-11-13-20-28(6)23-16-24-29(7)22-15-18-26(3)4/h8-9,17-20,24H,10-16,21-23H2,1-7H3/b9-8+,27-19+,28-20+,29-24- |
| InChIKey | BBCQGYMUMKNTQE-UQOGDFRFSA-N |
| Molecular Weight | 396.703 g/mol |
| SMILES | C(\C=C/(CCC=C(C)C)C)C\C(=C\CC\C=C\CC\C=C\(CCC=C(C)C)C)C |
| SPLASH | splash10-014i-9300000000-9879a97ea64267a7e587 |
| Source of Spectrum | D-16-2684-4 |
| Wiley ID | 1367811 |