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Chabrolobenzoquinone C
SpectraBase Compound ID JexyQvOFEZl
InChI InChI=1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)22(5)17-26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14-
InChIKey MMLRYQXCAKDHJW-FWXQPYBBSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OGDr79Lai
Name Chabrolobenzoquinone C
Appearance Pale oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)22(5)17-26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14-
InChIKey MMLRYQXCAKDHJW-FWXQPYBBSA-N
Instrument Name VG Quattro GC/MS
Ionization Type EI
Literature Reference DOI 10.1021/np0401314
Molecular Weight 424.581 g/mol
Reported Formula C27H36O4
SMILES OC(\C(=C/CC\C(=C\CC\C(=C\CC=1C(C=C(C(C1)=O)C)=O)C)C)CCC=C(C)C)=O
SPLASH splash10-0170-5900000000-906522a2ed5650209d29
Source of Spectrum G4-67-2052-8
Wiley ID 1881625