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

*Links on SpectraBase are not permalinks.
.alpha.-D-Glucofuranose, 3-C-(cyanomethyl)-1,2:5,6-bis-O-(1-methylethylidene)-3-S-phenyl-3-thio-
SpectraBase Compound ID 4LOfRpj2bbp
InChI InChI=1S/C20H25NO5S/c1-18(2)22-12-14(24-18)15-20(10-11-21,27-13-8-6-5-7-9-13)16-17(23-15)26-19(3,4)25-16/h5-9,14-17H,10,12H2,1-4H3/t14-,15-,16+,17-,20+/m1/s1
InChIKey PCBMTBJPSNREIP-XDCWJTEKSA-N
Mol Weight 391.48 g/mol
Molecular Formula C20H25NO5S
Exact Mass 391.145344 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 Lybcx2pT2Dj
Name .alpha.-D-Glucofuranose, 3-C-(cyanomethyl)-1,2:5,6-bis-O-(1-methylethylidene)-3-S-phenyl-3-thio-
CAS Registry Number 34010-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO5S
InChI InChI=1S/C20H25NO5S/c1-18(2)22-12-14(24-18)15-20(10-11-21,27-13-8-6-5-7-9-13)16-17(23-15)26-19(3,4)25-16/h5-9,14-17H,10,12H2,1-4H3/t14-,15-,16+,17-,20+/m1/s1
InChIKey PCBMTBJPSNREIP-XDCWJTEKSA-N
Molecular Weight 391.482 g/mol
SMILES [C@@]1([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1([C@@]1(OC(C)(C)OC1)[H])[H])[H])[H])(Sc1ccccc1)CC#N
SPLASH splash10-0udi-1900000000-a114c10c1f0a4cd1c3e8
Source of Spectrum W5-0-0-0
Synonyms 2-[(3aR,5R,6S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(phenylsulfanyl)-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl]acetonitrile
Wiley ID 1365323