| SpectraBase Spectrum ID |
ArWGrt31i3R |
| Name |
Squalene |
| CAS Registry Number |
7683-64-9 |
| Classification |
Terpene |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
410.391251610 u |
| Formula |
C30H50 |
| InChI |
InChI=1S/C30H50/c1-9-26(4)16-11-18-28(6)20-13-22-30(8)24-14-23-29(7)21-12-19-27(5)17-10-15-25(2)3/h9,15,18-19,22-23H,10-14,16-17,20-21,24H2,1-8H3/b26-9+,27-19+,28-18+,29-23+,30-22- |
| InChIKey |
MZZWIMXYGWMPNX-PUBZHMFISA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
410.730 g/mol |
| Nominal Mass |
410 u |
| Quality |
952 |
| Retention Index |
2815 |
| SMILES |
C(\C=C\(CC\C=C\(CCC=C(C)C)C)C)C\C(=C/CC\C(=C\CC\C(=C\C)C)C)C |
| SPLASH |
splash10-015i-9710000000-00ecf18d6f4f6ab57d10 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008476 |
