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

View entire compound with spectra: 2 NMR

beta-D-Glucopyranoside, 2-chlorophenyl 2-(acetylamino)-2-deoxy-4,6-o-(phenylmethylene)-
SpectraBase Compound ID 7jPMCBHNIa5
InChI InChI=1S/C21H22ClNO6/c1-12(24)23-17-18(25)19-16(11-26-20(29-19)13-7-3-2-4-8-13)28-21(17)27-15-10-6-5-9-14(15)22/h2-10,16-21,25H,11H2,1H3,(H,23,24)
InChIKey MJADHBWXMYTWOV-UHFFFAOYSA-N
Mol Weight 419.86 g/mol
Molecular Formula C21H22ClNO6
Exact Mass 419.113565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNW93LqImLh
Name beta-D-Glucopyranoside, 2-chlorophenyl 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 419.113565126 u
Formula C21H22ClNO6
InChI InChI=1S/C21H22ClNO6/c1-12(24)23-17-18(25)19-16(11-26-20(29-19)13-7-3-2-4-8-13)28-21(17)27-15-10-6-5-9-14(15)22/h2-10,16-21,25H,11H2,1H3,(H,23,24)
InChIKey MJADHBWXMYTWOV-UHFFFAOYSA-N
Molecular Weight 419.861 g/mol
SMILES OC1C2C(OC(C1NC(=O)C)OC1=C(Cl)C=CC=C1)COC(O2)C=1C=CC=CC1