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2,2,2-Trichloroethyl-3,4,6-tris(O-acetyl)-2-deoxy-2-tetrachlorophthalimido-.beta.-D-glucopyranose
SpectraBase Compound ID ENSuiDQGseY
InChI InChI=1S/C22H18Cl7NO10/c1-6(31)36-4-9-17(38-7(2)32)18(39-8(3)33)16(21(40-9)37-5-22(27,28)29)30-19(34)10-11(20(30)35)13(24)15(26)14(25)12(10)23/h9,16-18,21H,4-5H2,1-3H3/t9-,16-,17-,18-,21-/m1/s1
InChIKey XJCRMAVSUDYDMU-RAWORGRFSA-N
Mol Weight 704.6 g/mol
Molecular Formula C22H18Cl7NO10
Exact Mass 700.87504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAyc6unDiRX
Name 2,2,2-Trichloroethyl-3,4,6-tris(O-acetyl)-2-deoxy-2-tetrachlorophthalimido-.beta.-D-glucopyranose
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18Cl7NO10
InChI InChI=1S/C22H18Cl7NO10/c1-6(31)36-4-9-17(38-7(2)32)18(39-8(3)33)16(21(40-9)37-5-22(27,28)29)30-19(34)10-11(20(30)35)13(24)15(26)14(25)12(10)23/h9,16-18,21H,4-5H2,1-3H3/t9-,16-,17-,18-,21-/m1/s1
InChIKey XJCRMAVSUDYDMU-RAWORGRFSA-N
Molecular Weight 704.554 g/mol
SMILES [C@]1(N2C(c3c(c(Cl)c(c(c3C2=O)Cl)Cl)Cl)=O)([C@]([C@](OC(=O)C)([C@](O[C@]1(OCC(Cl)(Cl)Cl)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-0006-9002000000-633c15b0df32edf53a4d
Source of Spectrum C-124-10044-3c
Wiley ID 1700899