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2-(Octylthio)benzo[l,4]quinone
SpectraBase Compound ID KE6gHvKBzW1
InChI InChI=1S/C14H20O2S/c1-2-3-4-5-6-7-10-17-14-11-12(15)8-9-13(14)16/h8-9,11H,2-7,10H2,1H3
InChIKey IKFHVBRYMLBCNJ-UHFFFAOYSA-N
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hIKueNpqOi
Name 2-(Octylthio)benzo[l,4]quinone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2S
InChI InChI=1S/C14H20O2S/c1-2-3-4-5-6-7-10-17-14-11-12(15)8-9-13(14)16/h8-9,11H,2-7,10H2,1H3
InChIKey IKFHVBRYMLBCNJ-UHFFFAOYSA-N
Molecular Weight 252.372 g/mol
SMILES C1(=CC(=O)C=CC1=O)SCCCCCCCC
SPLASH splash10-0f6x-0940000000-4232c517c07ba56d4db3
Source of Spectrum F-66-4981-14a
Synonyms 2-(octylthio)cyclohexa-2,5-diene-1,4-dione 2-octylsulfanyl-1,4-benzoquinone 2-octylsulfanylcyclohexa-2,5-diene-1,4-dione
Wiley ID 1683247