| SpectraBase Compound ID | ETIrFABCgE5 |
|---|---|
| InChI | InChI=1S/C31H52/c1-25(2)15-10-17-27(5)19-12-20-29(7)22-14-24-31(9)30(8)23-13-21-28(6)18-11-16-26(3)4/h15-16,19,21-22H,10-14,17-18,20,23-24H2,1-9H3/b27-19+,28-21+,29-22+,31-30+ |
| InChIKey | ONDJHVGPCYSWSC-PXFYGUSISA-N |
| Mol Weight | 424.8 g/mol |
| Molecular Formula | C31H52 |
| Exact Mass | 424.406902 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5FUac7eKpWV |
|---|---|
| Name | 11-Methylsqualene |
| CAS Registry Number | 63424-36-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52 |
| InChI | InChI=1S/C31H52/c1-25(2)15-10-17-27(5)19-12-20-29(7)22-14-24-31(9)30(8)23-13-21-28(6)18-11-16-26(3)4/h15-16,19,21-22H,10-14,17-18,20,23-24H2,1-9H3/b27-19+,28-21+,29-22+,31-30+ |
| InChIKey | ONDJHVGPCYSWSC-PXFYGUSISA-N |
| Molecular Weight | 424.757 g/mol |
| SMILES | C(\C(=C\(CC\C=C\(CCC=C(C)C)C)C)C)C\C=C\(CC\C=C\(CCC=C(C)C)C)C |
| SPLASH | splash10-014i-9300000000-a551244abcc6dd530602 |
| Source of Spectrum | D-16-2684-3 |
| Wiley ID | 1379562 |