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(S,S)-3-(11-Iodoundecyl)-5-methyl-3-phenylthio-tetrahydrofuran-2-one
SpectraBase Compound ID GS5tYb0H82u
InChI InChI=1S/C22H33IO2S/c1-19-18-22(21(24)25-19,26-20-14-10-9-11-15-20)16-12-7-5-3-2-4-6-8-13-17-23/h9-11,14-15,19H,2-8,12-13,16-18H2,1H3/t19-,22-/m0/s1
InChIKey XIUBKXAZKJBBJM-UGKGYDQZSA-N
Mol Weight 488.5 g/mol
Molecular Formula C22H33IO2S
Exact Mass 488.124596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IAR8BcomSZ
Name (S,S)-3-(11-Iodoundecyl)-5-methyl-3-phenylthio-tetrahydrofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33IO2S
InChI InChI=1S/C22H33IO2S/c1-19-18-22(21(24)25-19,26-20-14-10-9-11-15-20)16-12-7-5-3-2-4-6-8-13-17-23/h9-11,14-15,19H,2-8,12-13,16-18H2,1H3/t19-,22-/m0/s1
InChIKey XIUBKXAZKJBBJM-UGKGYDQZSA-N
Molecular Weight 488.468 g/mol
SMILES [C@@]1(C(O[C@](C1)(C)[H])=O)(Sc1ccccc1)CCCCCCCCCCCI
SPLASH splash10-07cu-9322000000-6c586ef42b89cdd78d6a
Source of Spectrum F-51-1927-9
Synonyms (3S,5S)-3-(11-iodoundecyl)-5-methyl-3-(phenylsulfanyl)oxolan-2-one
Wiley ID 790826