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Squalene
SpectraBase Compound ID CWF2izynD3m
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
Mol Weight 410.7 g/mol
Molecular Formula C30H50
Exact Mass 410.391252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVetsA2dYg0
Name (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Carrier Gas Helium
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Formula C30H50
GC Oven Program Oven temp 300oC, Split injector
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
Instrument Name GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2021.101285
Molecular Weight 410.730 g/mol
SMILES C(=CCC\C(=C\CC\C(=C\CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)(C)C
SPLASH splash10-014i-9100000000-e0672ec76e6048b6eefc
Source of Spectrum SCS-25-SM11-Fig S1.45
Wiley ID 1876942