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

*Links on SpectraBase are not permalinks.
(2S,3S,4S,5R,6R)-3-(4-methylphenyl)sulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbonitrile
SpectraBase Compound ID BXXGHc0hkms
InChI InChI=1S/C35H35NO4S/c1-26-17-19-30(20-18-26)41-35-31(21-36)40-32(25-37-22-27-11-5-2-6-12-27)33(38-23-28-13-7-3-8-14-28)34(35)39-24-29-15-9-4-10-16-29/h2-20,31-35H,22-25H2,1H3/t31-,32+,33+,34-,35-/m0/s1
InChIKey IINCIURNIJMPHA-PEINCPOXSA-N
Mol Weight 565.7 g/mol
Molecular Formula C35H35NO4S
Exact Mass 565.22868 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 HFPC7IW5qHp
Name (2S,3S,4S,5R,6R)-3-(4-methylphenyl)sulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H35NO4S
InChI InChI=1S/C35H35NO4S/c1-26-17-19-30(20-18-26)41-35-31(21-36)40-32(25-37-22-27-11-5-2-6-12-27)33(38-23-28-13-7-3-8-14-28)34(35)39-24-29-15-9-4-10-16-29/h2-20,31-35H,22-25H2,1H3/t31-,32+,33+,34-,35-/m0/s1
InChIKey IINCIURNIJMPHA-PEINCPOXSA-N
Molecular Weight 565.728 g/mol
SMILES [C@@]1([C@]([C@](C#N)(O[C@@]([C@]1(OCc1ccccc1)[H])(COCc1ccccc1)[H])[H])(Sc1ccc(cc1)C)[H])(OCc1ccccc1)[H]
SPLASH splash10-0adl-5911010000-386f8042c6feb58e3118
Source of Spectrum O-29-309-0
Synonyms (2S,3S,4S,5R,6R)-3-[(4-methylphenyl)thio]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanecarbonitrile (2S,3S,4S,5R,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-3-(p-tolylthio)tetrahydropyran-2-carbonitrile (2S,3S,4S,5R,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-3-(p-tolylsulfanyl)tetrahydropyran-2-carbonitrile
Wiley ID 1407241