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[6-Chloranyl-3-iodanyl-5,8-dimethoxy-4-(methoxymethoxy)naphthalen-2-yl]methyl (4S)-4-methylhex-2-ynoate
SpectraBase Compound ID G79d4bC3KAb
InChI InChI=1S/C22H24ClIO6/c1-6-13(2)7-8-18(25)29-11-14-9-15-17(27-4)10-16(23)21(28-5)19(15)22(20(14)24)30-12-26-3/h9-10,13H,6,11-12H2,1-5H3/t13-/m0/s1
InChIKey DPDYHOZBBCRZSS-ZDUSSCGKSA-N
Mol Weight 546.79 g/mol
Molecular Formula C22H24ClIO6
Exact Mass 546.030611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5mihztbbUS
Name [6-Chloranyl-3-iodanyl-5,8-dimethoxy-4-(methoxymethoxy)naphthalen-2-yl]methyl (4S)-4-methylhex-2-ynoate
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Formula C22H24ClIO6
InChI InChI=1S/C22H24ClIO6/c1-6-13(2)7-8-18(25)29-11-14-9-15-17(27-4)10-16(23)21(28-5)19(15)22(20(14)24)30-12-26-3/h9-10,13H,6,11-12H2,1-5H3/t13-/m0/s1
InChIKey DPDYHOZBBCRZSS-ZDUSSCGKSA-N
Molecular Weight 546.785 g/mol
SMILES c12c(cc(c(c2OCOC)I)COC(C#C[C@](CC)(C)[H])=O)c(OC)cc(c1OC)Cl
SPLASH splash10-004i-0039000000-62a5953fd8f654541661
Source of Spectrum K-2001-235-18
Synonyms [6-Chloro-3-iodo-5,8-dimethoxy-4-(methoxymethoxy)-2-naphthyl]methyl (4S)-4-methylhex-2-ynoate [6-Chloro-3-iodo-5,8-dimethoxy-4-(methoxymethoxy)naphthalen-2-yl]methyl (4S)-4-methylhex-2-ynoate (4S)-4-methyl-2-hexynoic acid [6-chloro-3-iodo-5,8-dimethoxy-4-(methoxymethoxy)-2-naphthalenyl]methyl ester
Wiley ID 1578440