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N-Acetyl-tribenzylgalactosamine
SpectraBase Compound ID 1JIOFPwmA1R
InChI InChI=1S/C29H33NO6/c1-21(31)30-26-28(35-19-24-15-9-4-10-16-24)27(34-18-23-13-7-3-8-14-23)25(36-29(26)32)20-33-17-22-11-5-2-6-12-22/h2-16,25-29,32H,17-20H2,1H3,(H,30,31)
InChIKey BMOPHWKYXVHVMF-UHFFFAOYSA-N
Mol Weight 491.6 g/mol
Molecular Formula C29H33NO6
Exact Mass 491.230788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LPNhHzpW50A
Name N-Acetyl-tribenzylgalactosamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.230787781 u
Formula C29H33NO6
InChI InChI=1S/C29H33NO6/c1-21(31)30-26-28(35-19-24-15-9-4-10-16-24)27(34-18-23-13-7-3-8-14-23)25(36-29(26)32)20-33-17-22-11-5-2-6-12-22/h2-16,25-29,32H,17-20H2,1H3,(H,30,31)
InChIKey BMOPHWKYXVHVMF-UHFFFAOYSA-N
Molecular Weight 491.584 g/mol
SMILES C1(C(C(OCC2=CC=CC=C2)C(OC1O)COCC1=CC=CC=C1)OCC1=CC=CC=C1)NC(C)=O