| SpectraBase Spectrum ID |
1H1SsuHd8OP |
| Name |
Squalene |
| CAS Registry Number |
111-02-4 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
410.391251610 u |
| Formula |
C30H50 |
| InChI |
InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+ |
| InChIKey |
YYGNTYWPHWGJRM-AAJYLUCBSA-N |
| Molecular Weight |
410.730 g/mol |
| Nominal Mass |
410 u |
| Number of Peaks |
44 |
| SMILES |
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C/(C)CC\C=C/(C)CCC=C(C)C |
| SPLASH |
splash10-014i-9300000000-0c7b996baf80264c9c90 |
| Source File Reference |
DSHS_50_0278 |
| Source of Spectrum |
Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany |
| Wiley ID |
50_278 |
