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Hexakis[(E)-3',3'-dimethyl-5'-methylthio-1'-pentenyl]benzene
SpectraBase Compound ID 4a8O2D0Gi26
InChI InChI=1S/C54H90S6/c1-49(2,31-37-55-13)25-19-43-44(20-26-50(3,4)32-38-56-14)46(22-28-52(7,8)34-40-58-16)48(24-30-54(11,12)36-42-60-18)47(23-29-53(9,10)35-41-59-17)45(43)21-27-51(5,6)33-39-57-15/h19-30H,31-42H2,1-18H3/b25-19+,26-20+,27-21+,28-22+,29-23+,30-24+
InChIKey ORDHIKVKIWCHSZ-LQURRZMYSA-N
Mol Weight 931.7 g/mol
Molecular Formula C54H90S6
Exact Mass 930.53668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPENPEGQnhm
Name Hexakis[(E)-3',3'-dimethyl-5'-methylthio-1'-pentenyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H90S6
InChI InChI=1S/C54H90S6/c1-49(2,31-37-55-13)25-19-43-44(20-26-50(3,4)32-38-56-14)46(22-28-52(7,8)34-40-58-16)48(24-30-54(11,12)36-42-60-18)47(23-29-53(9,10)35-41-59-17)45(43)21-27-51(5,6)33-39-57-15/h19-30H,31-42H2,1-18H3/b25-19+,26-20+,27-21+,28-22+,29-23+,30-24+
InChIKey ORDHIKVKIWCHSZ-LQURRZMYSA-N
Molecular Weight 931.674 g/mol
SMILES c1(c(c(\C=C\C(CCSC)(C)C)c(c(c1\C=C\C(CCSC)(C)C)\C=C\C(CCSC)(C)C)\C=C\C(CCSC)(C)C)\C=C\C(CCSC)(C)C)\C=C\C(CCSC)(C)C
SPLASH splash10-02t9-4900000043-a93b71428b05a4a05e06
Source of Spectrum QE-11-317-1
Synonyms 1,2,3,4,5,6-hexakis[(1E)-3,3-dimethyl-5-(methylsulfanyl)pent-1-en-1-yl]benzene
Wiley ID 1586513