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2-(2-Iodo-4,5-dimethoxyphenyl)ethyl p-toluensulfonate
SpectraBase Compound ID 79Es0jnqO8A
InChI InChI=1S/C17H19IO5S/c1-12-4-6-14(7-5-12)24(19,20)23-9-8-13-10-16(21-2)17(22-3)11-15(13)18/h4-7,10-11H,8-9H2,1-3H3
InChIKey MASJIGFTBNCYIN-UHFFFAOYSA-N
Mol Weight 462.3 g/mol
Molecular Formula C17H19IO5S
Exact Mass 461.99979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EADqnXZCVB6
Name 2-(2-Iodo-4,5-dimethoxyphenyl)ethyl p-toluensulfonate
Alternate Name(s) 2-(2-iodo-4,5-dimethoxyphenyl)ethyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19IO5S
InChI InChI=1S/C17H19IO5S/c1-12-4-6-14(7-5-12)24(19,20)23-9-8-13-10-16(21-2)17(22-3)11-15(13)18/h4-7,10-11H,8-9H2,1-3H3
InChIKey MASJIGFTBNCYIN-UHFFFAOYSA-N
Molecular Weight 462.298 g/mol
SMILES Cc1ccc(cc1)S(=O)(=O)OCCc1c(cc(c(c1)OC)OC)I
SPLASH splash10-0006-2090200000-b1510abb0e9f39742d5c
Source of Spectrum KC-61-3316-12
Wiley ID 1628477