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Methyl 3,4-di-O acetyl-2-O-trichloroacetyl-.beta.,D-glucuronatopyranosyl chloride
SpectraBase Compound ID F9Qj4WItWv4
InChI InChI=1S/C13H14Cl4O9/c1-4(18)23-6-7(24-5(2)19)9(11(20)22-3)25-10(14)8(6)26-12(21)13(15,16)17/h6-10H,1-3H3/t6-,7-,8+,9-,10+/m0/s1
InChIKey FJENVYCCSMLUHK-GENCIFFESA-N
Mol Weight 456.1 g/mol
Molecular Formula C13H14Cl4O9
Exact Mass 453.939193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FF7nluOVRK3
Name Methyl 3,4-di-O acetyl-2-O-trichloroacetyl-.beta.,D-glucuronatopyranosyl chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14Cl4O9
InChI InChI=1S/C13H14Cl4O9/c1-4(18)23-6-7(24-5(2)19)9(11(20)22-3)25-10(14)8(6)26-12(21)13(15,16)17/h6-10H,1-3H3/t6-,7-,8+,9-,10+/m0/s1
InChIKey FJENVYCCSMLUHK-GENCIFFESA-N
Molecular Weight 456.058 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)([C@]([C@@](O1)(Cl)[H])(OC(C(Cl)(Cl)Cl)=O)[H])[H])(OC(=O)C)[H])(C(=O)OC)[H]
SPLASH splash10-0a4i-0910000000-2c3f2bb8af6252c21712
Source of Spectrum E1-40-3267-14
Wiley ID 1551779