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2,5-Cyclohexadiene-1,4-dione, 2-bromo-3-(3,5-heptadienyl)-5-methoxy-6-methyl-, (E,Z)-
SpectraBase Compound ID 28de7wrvXtG
InChI InChI=1S/C15H17BrO3/c1-4-5-6-7-8-9-11-12(16)13(17)10(2)15(19-3)14(11)18/h4-7H,8-9H2,1-3H3/b5-4+,7-6+
InChIKey OKLCDMBFJFFZHL-YTXTXJHMSA-N
Mol Weight 325.2 g/mol
Molecular Formula C15H17BrO3
Exact Mass 324.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLzd8lpHx4G
Name 2,5-Cyclohexadiene-1,4-dione, 2-bromo-3-(3,5-heptadienyl)-5-methoxy-6-methyl-, (E,Z)-
CAS Registry Number 109035-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17BrO3
InChI InChI=1S/C15H17BrO3/c1-4-5-6-7-8-9-11-12(16)13(17)10(2)15(19-3)14(11)18/h4-7H,8-9H2,1-3H3/b5-4+,7-6+
InChIKey OKLCDMBFJFFZHL-YTXTXJHMSA-N
Molecular Weight 325.202 g/mol
SMILES C1(=C(C(=O)C(=C(C1=O)OC)C)Br)CC\C=C\C=C\C
SPLASH splash10-0002-0091000000-e26004ec60270fc3173f
Source of Spectrum J-52-3965-45
Synonyms 2-Bromo-3-[(3E,5E)-3,5-heptadienyl]-5-methoxy-6-methylbenzo-1,4-quinone 3-Bromo-4-methyl-6-methoxy-2-(3,5-heptadienyl)-1,4-benzoquinone
Wiley ID 1322924