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(2S)-2-(8-ethyl-3,12,16-trimethyl-heptadeca-3,7,11,15-tetraenyl)-1,1-dimethyl-3-methylene-cyclohexane
SpectraBase Compound ID HOIFRuQqfDW
InChI InChI=1S/C31H52/c1-9-29(21-13-18-26(4)17-12-15-25(2)3)20-11-10-16-27(5)22-23-30-28(6)19-14-24-31(30,7)8/h15-16,18,20,30H,6,9-14,17,19,21-24H2,1-5,7-8H3/t30-/m1/s1
InChIKey GQBORMTYVLEKPP-SSEXGKCCSA-N
Mol Weight 424.8 g/mol
Molecular Formula C31H52
Exact Mass 424.406902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2T61RnNqb2
Name (2S)-2-(8-ethyl-3,12,16-trimethyl-heptadeca-3,7,11,15-tetraenyl)-1,1-dimethyl-3-methylene-cyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.406901674 u
Formula C31H52
InChI InChI=1S/C31H52/c1-9-29(21-13-18-26(4)17-12-15-25(2)3)20-11-10-16-27(5)22-23-30-28(6)19-14-24-31(30,7)8/h15-16,18,20,30H,6,9-14,17,19,21-24H2,1-5,7-8H3/t30-/m1/s1
InChIKey GQBORMTYVLEKPP-SSEXGKCCSA-N
Instrument Name JEOL SX 100/JMS-Q1000 GC K9
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800010
Molecular Weight 424.757 g/mol
Quality 572
SMILES C1CC([C@](C(C1)(C)C)(CCC(=CCCC=C(CCC=C(CCC=C(C)C)C)CC)C)[H])=C
SPLASH splash10-067j-7902100000-74a5a71cafa446ef49b4
Source of Spectrum K1-2018-SM34-34 (DOI: 10.1002/ejoc.201800010)
Wiley ID 1893942