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1-{2'-[1"-Hydroxy-3"-(2"'-iodo-6"'-methoxyphenyl)-3"-oxopropyl]benzyll}-allyl Acetate
SpectraBase Compound ID KXhop3d82FT
InChI InChI=1S/C22H23IO5/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/h4-11,16,19,25H,1,12-13H2,2-3H3
InChIKey WSEVQFZKKNFRGV-UHFFFAOYSA-N
Mol Weight 494.33 g/mol
Molecular Formula C22H23IO5
Exact Mass 494.059019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGWsdBDVDr9
Name 1-{2'-[1"-Hydroxy-3"-(2"'-iodo-6"'-methoxyphenyl)-3"-oxopropyl]benzyll}-allyl Acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23IO5
InChI InChI=1S/C22H23IO5/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/h4-11,16,19,25H,1,12-13H2,2-3H3
InChIKey WSEVQFZKKNFRGV-UHFFFAOYSA-N
Molecular Weight 494.325 g/mol
SMILES OC(CC(c1c(I)cccc1OC)=O)c1c(CC(OC(=O)C)C=C)cccc1
SPLASH splash10-03di-0090100000-d7ed35c70dd920419d96
Source of Spectrum QE-14-2533-26
Wiley ID 1692032