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2-[1'-Hydroxy-1'-(4'-chloro-2'-methylphenyl)methyl]-1,4-naphthoquinone
SpectraBase Compound ID 4CTPMmXlse0
InChI InChI=1S/C18H13ClO3/c1-10-8-11(19)6-7-12(10)17(21)15-9-16(20)13-4-2-3-5-14(13)18(15)22/h2-9,17,21H,1H3
InChIKey UDGIKEBHZWAMCY-UHFFFAOYSA-N
Mol Weight 312.75 g/mol
Molecular Formula C18H13ClO3
Exact Mass 312.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYxBObCrEHE
Name 2-[1'-Hydroxy-1'-(4'-chloro-2'-methylphenyl)methyl]-1,4-naphthoquinone
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Formula C18H13ClO3
InChI InChI=1S/C18H13ClO3/c1-10-8-11(19)6-7-12(10)17(21)15-9-16(20)13-4-2-3-5-14(13)18(15)22/h2-9,17,21H,1H3
InChIKey UDGIKEBHZWAMCY-UHFFFAOYSA-N
Molecular Weight 312.752 g/mol
SMILES OC(C=1C(c2ccccc2C(C1)=O)=O)c1c(cc(cc1)Cl)C
SPLASH splash10-01p9-0925000000-587931ca112a4cdecb7e
Source of Spectrum EMC-62-104-13a
Synonyms 2-[1'-Hydroxy-1'-(5'-chloro-3'-methylphenyl)methyl]-1,4-naphthoquinone 2-((4-chloro-2-methylphenyl)(hydroxy)methyl)naphthalene-1,4-dione 2-[(4-chloro-2-methylphenyl)-hydroxymethyl]naphthalene-1,4-dione 2-[(4-chloro-2-methyl-phenyl)-hydroxy-methyl]naphthalene-1,4-dione 2-[(4-chloranyl-2-methyl-phenyl)-oxidanyl-methyl]naphthalene-1,4-dione
Wiley ID 1735473