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.alpha.-D-Galactofuranose, 3-C-(cyanomethyl)-1,2:5,6-bis-O-(1-methylethylidene)-3-S-phenyl-3-thio-
SpectraBase Compound ID LDHOVjiqqsf
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-DYWWHBPLSA-N
Mol Weight 391.48 g/mol
Molecular Formula C20H25NO5S
Exact Mass 391.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QdEYuIPgyL
Name .alpha.-D-Galactofuranose, 3-C-(cyanomethyl)-1,2:5,6-bis-O-(1-methylethylidene)-3-S-phenyl-3-thio-
CAS Registry Number 43179-07-3
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-DYWWHBPLSA-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-0920000000-9f68ee87af2d219ff8fb
Source of Spectrum W5-0-0-0
Synonyms 2-[(3aR,5S,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 1365324