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1-{2'-[1"-Hydroxy-3"-(2"'-iodo-6"'-methoxyphenyl)-3"-oxopropenyl]benzyll}-allyl Acetate
SpectraBase Compound ID ByQQjywqmlX
InChI InChI=1S/C22H21IO5/c1-4-16(28-14(2)24)12-15-8-5-6-9-17(15)19(25)13-20(26)22-18(23)10-7-11-21(22)27-3/h4-11,13,16,25H,1,12H2,2-3H3/b19-13-
InChIKey DNASDRWEFCMCQW-UYRXBGFRSA-N
Mol Weight 492.31 g/mol
Molecular Formula C22H21IO5
Exact Mass 492.043369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcXvHkm4cv0
Name 1-{2'-[1"-Hydroxy-3"-(2"'-iodo-6"'-methoxyphenyl)-3"-oxopropenyl]benzyll}-allyl Acetate
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Formula C22H21IO5
InChI InChI=1S/C22H21IO5/c1-4-16(28-14(2)24)12-15-8-5-6-9-17(15)19(25)13-20(26)22-18(23)10-7-11-21(22)27-3/h4-11,13,16,25H,1,12H2,2-3H3/b19-13-
InChIKey DNASDRWEFCMCQW-UYRXBGFRSA-N
Molecular Weight 492.309 g/mol
SMILES O\C(=C/C(c1c(I)cccc1OC)=O)c1c(CC(OC(=O)C)C=C)cccc1
SPLASH splash10-03di-0090100000-064c3561019c1fa7f71d
Source of Spectrum QE-14-2533-27
Wiley ID 1692031