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(3'R,10E,14R,15Z)-14-(3,7-dimethyloctyl)-3,7,11,15,19,23-hexamethyltetracosa-1,10,15-triene
SpectraBase Compound ID ILWByEcpWKe
InChI InChI=1S/C40H76/c1-12-34(6)20-15-23-36(8)24-16-25-38(10)29-31-40(30-28-37(9)22-14-19-33(4)5)39(11)27-17-26-35(7)21-13-18-32(2)3/h12,25,27,32-37,40H,1,13-24,26,28-31H2,2-11H3/b38-25+,39-27-/t34?,35?,36?,37-,40-/m1/s1
InChIKey QEBLILLVVXGKOL-IFSMZRNQSA-N
Mol Weight 557.0 g/mol
Molecular Formula C40H76
Exact Mass 556.594702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BiiZOfzaTTI
Name (3'R,10E,14R,15Z)-14-(3,7-dimethyloctyl)-3,7,11,15,19,23-hexamethyltetracosa-1,10,15-triene
Alternate Name(s) Viaticene A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H76
InChI InChI=1S/C40H76/c1-12-34(6)20-15-23-36(8)24-16-25-38(10)29-31-40(30-28-37(9)22-14-19-33(4)5)39(11)27-17-26-35(7)21-13-18-32(2)3/h12,25,27,32-37,40H,1,13-24,26,28-31H2,2-11H3/b38-25+,39-27-/t34?,35?,36?,37-,40-/m1/s1
InChIKey QEBLILLVVXGKOL-IFSMZRNQSA-N
Instrument Name HP 6890-5973 or Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900224
Molecular Weight 557.048 g/mol
SMILES C(C(CCCC(CC\C=C\(CC[C@](\C(C)=C/CCC(CCCC(C)C)C)(CC[C@@](CCCC(C)C)(C)[H])[H])C)C)C)=C
SPLASH splash10-0a5a-9400000000-9a196b55482642c1bec2
Source of Spectrum U1-2019-2159-4
Wiley ID 1848583