For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(4R,5S,6S)-4-Iodomethyl-6-phenylthiomethyl-2,2,5-trimethyl-1,3-dioxane
SpectraBase Compound ID BfMSgXM3hDo
InChI InChI=1S/C15H21IO2S/c1-11-13(9-16)17-15(2,3)18-14(11)10-19-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t11-,13+,14-/m1/s1
InChIKey IZUHHIWFAOEEAV-KWCYVHTRSA-N
Mol Weight 392.3 g/mol
Molecular Formula C15H21IO2S
Exact Mass 392.030696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5w4WYT54HB1
Name (4R,5S,6S)-4-Iodomethyl-6-phenylthiomethyl-2,2,5-trimethyl-1,3-dioxane
Alternate Name(s) 1,3-Dideoxy-1-iodo-3-methyl-2,4-O-(1-methylethylidene)-5-S-phenyl-5-thio-D-xylitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21IO2S
InChI InChI=1S/C15H21IO2S/c1-11-13(9-16)17-15(2,3)18-14(11)10-19-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t11-,13+,14-/m1/s1
InChIKey IZUHHIWFAOEEAV-KWCYVHTRSA-N
Molecular Weight 392.295 g/mol
SMILES C1(O[C@](CSc2ccccc2)([C@@]([C@@](O1)(CI)[H])(C)[H])[H])(C)C
SPLASH splash10-03xr-0094000000-3e6c82589098830defb7
Source of Spectrum F-53-9784-16
Wiley ID 803049