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1-(2-Iodopheny)-6-tosyloxy-2,2-di(ethoxycarbonyl)hex-4-yne
SpectraBase Compound ID FAOkWfhwAy4
InChI InChI=1S/C25H27IO7S/c1-4-31-23(27)25(24(28)32-5-2,18-20-10-6-7-11-22(20)26)16-8-9-17-33-34(29,30)21-14-12-19(3)13-15-21/h6-7,10-15H,4-5,16-18H2,1-3H3
InChIKey SAMYXTNXTQJFCK-UHFFFAOYSA-N
Mol Weight 598.45 g/mol
Molecular Formula C25H27IO7S
Exact Mass 598.052219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaatVjldmEA
Name 1-(2-Iodopheny)-6-tosyloxy-2,2-di(ethoxycarbonyl)hex-4-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27IO7S
InChI InChI=1S/C25H27IO7S/c1-4-31-23(27)25(24(28)32-5-2,18-20-10-6-7-11-22(20)26)16-8-9-17-33-34(29,30)21-14-12-19(3)13-15-21/h6-7,10-15H,4-5,16-18H2,1-3H3
InChIKey SAMYXTNXTQJFCK-UHFFFAOYSA-N
Molecular Weight 598.448 g/mol
SMILES c1(S(=O)(=O)OCC#CCC(Cc2c(I)cccc2)(C(=O)OCC)C(=O)OCC)ccc(cc1)C
SPLASH splash10-0006-9300000000-a6ae38fcc8c013645e88
Source of Spectrum F-52-11494-28
Synonyms Diethyl 2-(2-iodobenzyl)-2-(4-{[(4-methylphenyl)sulfonyl]oxy}-2-butynyl)malonate
Wiley ID 798363