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1,4-Naphthalenedione, 2-hydroxy-3-(1-octenyl)-, (E)-
SpectraBase Compound ID HjZZK6BY0iq
InChI InChI=1S/C18H20O3/c1-2-3-4-5-6-7-12-15-16(19)13-10-8-9-11-14(13)17(20)18(15)21/h7-12,21H,2-6H2,1H3/b12-7+
InChIKey KFRZQVFBCFZBBZ-KPKJPENVSA-N
Mol Weight 284.35 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQ5921AvSji
Name 1,4-Naphthalenedione, 2-hydroxy-3-(1-octenyl)-, (E)-
CAS Registry Number 105438-24-2
Comments Less than 3 mono-isotopic peaks
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Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-2-3-4-5-6-7-12-15-16(19)13-10-8-9-11-14(13)17(20)18(15)21/h7-12,21H,2-6H2,1H3/b12-7+
InChIKey KFRZQVFBCFZBBZ-KPKJPENVSA-N
Molecular Weight 284.355 g/mol
SMILES OC1=C(C(c2c(cccc2)C1=O)=O)\C=C\CCCCCC
SPLASH splash10-03di-0090000000-bd43c11153c6414c1607
Source of Spectrum KC-1986-663-1
Synonyms 2-(3,7-Dimethyl-2,6-octan-dienyl)-3-hydroxy-1,4-naphthoquinone 2-hydroxy-3-[(1E)-1-octenyl]naphthoquinone
Wiley ID 1288257