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1-[7-chloranyl-3-(hydroxymethyl)-5,8-dimethoxy-1-(methoxymethoxy)naphthalen-2-yl]-4-methyl-pent-2-yn-1-one
SpectraBase Compound ID HwkxR7Wg7pa
InChI InChI=1S/C21H23ClO6/c1-12(2)6-7-16(24)18-13(10-23)8-14-17(26-4)9-15(22)20(27-5)19(14)21(18)28-11-25-3/h8-9,12,23H,10-11H2,1-5H3
InChIKey YMEVBORMICDLAB-UHFFFAOYSA-N
Mol Weight 406.86 g/mol
Molecular Formula C21H23ClO6
Exact Mass 406.118316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lshuMhQ90s
Name 1-[7-chloranyl-3-(hydroxymethyl)-5,8-dimethoxy-1-(methoxymethoxy)naphthalen-2-yl]-4-methyl-pent-2-yn-1-one
Alternate Name(s) 1-[7-chloro-3-(hydroxymethyl)-5,8-dimethoxy-1-(methoxymethoxy)-2-naphthalenyl]-4-methyl-2-pentyn-1-one 1-[7-chloro-3-(hydroxymethyl)-5,8-dimethoxy-1-(methoxymethoxy)-2-naphthyl]-4-methyl-pent-2-yn-1-one 1-[7-chloro-3-(hydroxymethyl)-5,8-dimethoxy-1-(methoxymethoxy)naphthalen-2-yl]-4-methylpent-2-yn-1-one 1-[7-chloro-5,8-dimethoxy-1-(methoxymethoxy)-3-methylol-2-naphthyl]-4-methyl-pent-2-yn-1-one
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Formula C21H23ClO6
InChI InChI=1S/C21H23ClO6/c1-12(2)6-7-16(24)18-13(10-23)8-14-17(26-4)9-15(22)20(27-5)19(14)21(18)28-11-25-3/h8-9,12,23H,10-11H2,1-5H3
InChIKey YMEVBORMICDLAB-UHFFFAOYSA-N
Molecular Weight 406.862 g/mol
SMILES OCc1c(c(c2c(c1)c(OC)cc(c2OC)Cl)OCOC)C(C#CC(C)C)=O
SPLASH splash10-05rs-0049100000-6a81dc47eb0210c7d3fd
Source of Spectrum K-2001-235-21
Wiley ID 1578437