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(S)-7-Chloro-3-hydroxymethyl-5,8-dimethoxy-1-(methoxymethoxy)-2-(4-methylhex-2-ynoyl)naphthalene
SpectraBase Compound ID LljZ7WGGdRG
InChI InChI=1S/C22H25ClO6/c1-6-13(2)7-8-17(25)19-14(11-24)9-15-18(27-4)10-16(23)21(28-5)20(15)22(19)29-12-26-3/h9-10,13,24H,6,11-12H2,1-5H3/t13-/m0/s1
InChIKey FQSYPUDYBWCCJD-ZDUSSCGKSA-N
Mol Weight 420.89 g/mol
Molecular Formula C22H25ClO6
Exact Mass 420.133966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6LGejApn9P
Name (S)-7-Chloro-3-hydroxymethyl-5,8-dimethoxy-1-(methoxymethoxy)-2-(4-methylhex-2-ynoyl)naphthalene
Alternate Name(s) (4S)-1-[7-chloro-3-(hydroxymethyl)-5,8-dimethoxy-1-(methoxymethoxy)-2-naphthyl]-4-methyl-2-hexyn-1-one (4S)-1-[7-chloro-3-(hydroxymethyl)-5,8-dimethoxy-1-(methoxymethoxy)-2-naphthalenyl]-4-methyl-2-hexyn-1-one (4S)-1-[7-chloro-3-(hydroxymethyl)-5,8-dimethoxy-1-(methoxymethoxy)naphthalen-2-yl]-4-methylhex-2-yn-1-one (4S)-1-[7-chloro-3-(hydroxymethyl)-5,8-dimethoxy-1-(methoxymethoxy)-2-naphthyl]-4-methyl-hex-2-yn-1-one (4S)-1-[7-chloranyl-3-(hydroxymethyl)-5,8-dimethoxy-1-(methoxymethoxy)naphthalen-2-yl]-4-methyl-hex-2-yn-1-one
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Formula C22H25ClO6
InChI InChI=1S/C22H25ClO6/c1-6-13(2)7-8-17(25)19-14(11-24)9-15-18(27-4)10-16(23)21(28-5)20(15)22(19)29-12-26-3/h9-10,13,24H,6,11-12H2,1-5H3/t13-/m0/s1
InChIKey FQSYPUDYBWCCJD-ZDUSSCGKSA-N
Molecular Weight 420.889 g/mol
SMILES OCc1c(c(c2c(c1)c(cc(c2OC)Cl)OC)OCOC)C(C#C[C@](CC)(C)[H])=O
SPLASH splash10-0296-0089100000-a23676d75555410ee0e5
Source of Spectrum K-2001-235-21
Wiley ID 1578436