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(1S,2S)-2-(3-ethyl-8,12,16-trimethyl-heptadeca-3,7,11,15-tetraenyl)-1,3,3-trimethyl-cyclohexanol
SpectraBase Compound ID GxqrbEbgHvC
InChI InChI=1S/C31H54O/c1-9-28(21-22-29-30(6,7)23-14-24-31(29,8)32)20-11-10-16-26(4)18-13-19-27(5)17-12-15-25(2)3/h15-16,19-20,29,32H,9-14,17-18,21-24H2,1-8H3/t29-,31-/m0/s1
InChIKey RDVMUCIIYJOQBQ-SMCANUKXSA-N
Mol Weight 442.8 g/mol
Molecular Formula C31H54O
Exact Mass 442.417466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cF4JKnLzE
Name (1S,2S)-2-(3-ethyl-8,12,16-trimethyl-heptadeca-3,7,11,15-tetraenyl)-1,3,3-trimethyl-cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.417466358 u
Formula C31H54O
InChI InChI=1S/C31H54O/c1-9-28(21-22-29-30(6,7)23-14-24-31(29,8)32)20-11-10-16-26(4)18-13-19-27(5)17-12-15-25(2)3/h15-16,19-20,29,32H,9-14,17-18,21-24H2,1-8H3/t29-,31-/m0/s1
InChIKey RDVMUCIIYJOQBQ-SMCANUKXSA-N
Instrument Name JEOL SX 100/JMS-Q1000 GC K9
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800010
Molecular Weight 442.772 g/mol
Quality 526
SMILES O[C@]1(CCCC([C@@]1(CCC(CC)=CCCC=C(CCC=C(CCC=C(C)C)C)C)[H])(C)C)C
SPLASH splash10-015j-9700000000-356301c13b30fee19770
Source of Spectrum K1-2018-SM70-42 (DOI: 10.1002/ejoc.201800010)
Wiley ID 1893948