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C33-2 Tetramethylsqualene
SpectraBase Compound ID 53NVtHjbFyt
InChI InChI=1S/C33H56/c1-25(2)30(8)21-19-29(7)18-14-17-27(5)15-12-13-16-28(6)20-22-32(10)33(11)24-23-31(9)26(3)4/h15-16,18,31-32H,3,11-14,17,19-24H2,1-2,4-10H3/b27-15+,28-16+,29-18+
InChIKey GKWFSSXRGLFOGW-YTMVTMPHSA-N
Mol Weight 452.8 g/mol
Molecular Formula C33H56
Exact Mass 452.438202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Bp4NdFol1A
Name C33-2 Tetramethylsqualene
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H56
InChI InChI=1S/C33H56/c1-25(2)30(8)21-19-29(7)18-14-17-27(5)15-12-13-16-28(6)20-22-32(10)33(11)24-23-31(9)26(3)4/h15-16,18,31-32H,3,11-14,17,19-24H2,1-2,4-10H3/b27-15+,28-16+,29-18+
InChIKey GKWFSSXRGLFOGW-YTMVTMPHSA-N
Instrument Name Bruker 436-GC-SCION SQ
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.6b00934
Molecular Weight 452.811 g/mol
Reported Formula C33H56
SMILES CC(=C)C(CCC(C(CC\C(=C\CC\C=C\(CC\C=C\(CCC(=C(C)C)C)C)C)C)C)=C)C
SPLASH splash10-0fsj-9400000000-26c88f7ba06d2b295e84
Source of Spectrum G4-80-SM11-8
Wiley ID 1867603