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

*Links on SpectraBase are not permalinks.
(2S,4R)-4-Formyloxy-2,6-dimethyl-5-oxoheptyl phenyl sulfone
SpectraBase Compound ID AikckPk5K4v
InChI InChI=1S/C16H22O5S/c1-12(2)16(18)15(21-11-17)9-13(3)10-22(19,20)14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3/t13-,15+/m0/s1
InChIKey OBFQSEYOLBXTBF-DZGCQCFKSA-N
Mol Weight 326.41 g/mol
Molecular Formula C16H22O5S
Exact Mass 326.118795 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 5DOQVGxA8na
Name (2S,4R)-4-Formyloxy-2,6-dimethyl-5-oxoheptyl phenyl sulfone
Alternate Name(s) (1R)-3-methyl-1-[(2S)-2-methyl-3-(phenylsulfonyl)propyl]-2-oxobutyl formate formic acid [(2S,4R)-1-(benzenesulfonyl)-2,6-dimethyl-5-oxoheptan-4-yl] ester [(2S,4R)-1-(benzenesulfonyl)-2,6-dimethyl-5-oxoheptan-4-yl] formate [(1R)-1-[(2S)-3-(benzenesulfonyl)-2-methyl-propyl]-3-methyl-2-oxo-butyl] formate [(2S,4R)-2,6-dimethyl-5-oxidanylidene-1-(phenylsulfonyl)heptan-4-yl] methanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O5S
InChI InChI=1S/C16H22O5S/c1-12(2)16(18)15(21-11-17)9-13(3)10-22(19,20)14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3/t13-,15+/m0/s1
InChIKey OBFQSEYOLBXTBF-DZGCQCFKSA-N
Molecular Weight 326.407 g/mol
SMILES c1(S(=O)(=O)C[C@](C[C@](C(C(C)C)=O)(OC=O)[H])(C)[H])ccccc1
SPLASH splash10-004i-3190000000-e20efa343c8e6f8fdc1c
Source of Spectrum K-2002-568-19
Wiley ID 1580924