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2-Octyl-3,5,6-trichloro-1,4-benzoquinone
SpectraBase Compound ID Lr0gdHDYbq
InChI InChI=1S/C14H17Cl3O2/c1-2-3-4-5-6-7-8-9-10(15)14(19)12(17)11(16)13(9)18/h2-8H2,1H3
InChIKey UYDCYMUFGAGGBG-UHFFFAOYSA-N
Mol Weight 323.65 g/mol
Molecular Formula C14H17Cl3O2
Exact Mass 322.029413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bMeekyNvG
Name 2-Octyl-3,5,6-trichloro-1,4-benzoquinone
Comments Less than 3 mono-isotopic peaks
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Formula C14H17Cl3O2
InChI InChI=1S/C14H17Cl3O2/c1-2-3-4-5-6-7-8-9-10(15)14(19)12(17)11(16)13(9)18/h2-8H2,1H3
InChIKey UYDCYMUFGAGGBG-UHFFFAOYSA-N
Molecular Weight 323.647 g/mol
SMILES C1(=C(C(=O)C(=C(C1=O)Cl)CCCCCCCC)Cl)Cl
SPLASH splash10-004i-0091000000-792dc80d31502bf497ab
Source of Spectrum J-61-4699-2
Synonyms 2,3,5-trichloro-6-octylbenzo-1,4-quinone 2,3,5-trichloro-6-octylcyclohexa-2,5-diene-1,4-dione 2,3,5-trichloro-6-octyl-1,4-benzoquinone 2,3,5-tris(chloranyl)-6-octyl-cyclohexa-2,5-diene-1,4-dione
Wiley ID 1321379