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beta-D-Glucopyranoside, 2,4-dichlorophenyl 2-(acetylamino)-2-deoxy-4,6-o-(phenylmethylene)-

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beta-D-Glucopyranoside, 2,4-dichlorophenyl 2-(acetylamino)-2-deoxy-4,6-o-(phenylmethylene)-
SpectraBase Compound ID Wnc3m0m018
InChI InChI=1S/C21H21Cl2NO6/c1-11(25)24-17-18(26)19-16(10-27-20(30-19)12-5-3-2-4-6-12)29-21(17)28-15-8-7-13(22)9-14(15)23/h2-9,16-21,26H,10H2,1H3,(H,24,25)
InChIKey KARAYELYATWDMS-UHFFFAOYSA-N
Mol Weight 454.31 g/mol
Molecular Formula C21H21Cl2NO6
Exact Mass 453.074593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLITDqZDOoH
Name beta-D-Glucopyranoside, 2,4-dichlorophenyl 2-(acetylamino)-2-deoxy-4,6-o-(phenylmethylene)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.074592794 u
Formula C21H21Cl2NO6
InChI InChI=1S/C21H21Cl2NO6/c1-11(25)24-17-18(26)19-16(10-27-20(30-19)12-5-3-2-4-6-12)29-21(17)28-15-8-7-13(22)9-14(15)23/h2-9,16-21,26H,10H2,1H3,(H,24,25)
InChIKey KARAYELYATWDMS-UHFFFAOYSA-N
Molecular Weight 454.306 g/mol
SMILES OC1C2C(OC(C1NC(=O)C)OC1=C(C=C(C=C1)Cl)Cl)COC(O2)C1=CC=CC=C1