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t-Butyl 3-[(3',4'-dimethoxybenzyl)oxy]-5-(iodomethyl)-5-methyl(tetrahydrofuran-2"-yl)-acetate
SpectraBase Compound ID BxXeZidlHfV
InChI InChI=1S/C21H31IO6/c1-20(2,3)28-19(23)10-17-18(11-21(4,13-22)27-17)26-12-14-7-8-15(24-5)16(9-14)25-6/h7-9,17-18H,10-13H2,1-6H3/t17-,18+,21?/m0/s1
InChIKey RKIXPHVJNIETSU-GARIHTGFSA-N
Mol Weight 506.38 g/mol
Molecular Formula C21H31IO6
Exact Mass 506.116534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EpRqz0naa4
Name t-Butyl 3-[(3',4'-dimethoxybenzyl)oxy]-5-(iodomethyl)-5-methyl(tetrahydrofuran-2"-yl)-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31IO6
InChI InChI=1S/C21H31IO6/c1-20(2,3)28-19(23)10-17-18(11-21(4,13-22)27-17)26-12-14-7-8-15(24-5)16(9-14)25-6/h7-9,17-18H,10-13H2,1-6H3/t17-,18+,21?/m0/s1
InChIKey RKIXPHVJNIETSU-GARIHTGFSA-N
Molecular Weight 506.377 g/mol
SMILES [C@@]1(OC(C[C@]1(OCc1cc(OC)c(cc1)OC)[H])(CI)C)(CC(OC(C)(C)C)=O)[H]
SPLASH splash10-0uxr-0910100000-db2fae05dfbab0e14682
Source of Spectrum QE-15-4037-16
Wiley ID 1692817