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Benzyl 2,4-di-(o-benzyl)-3-benzyloxygyrophorate

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Benzyl 2,4-di-(o-benzyl)-3-benzyloxygyrophorate
SpectraBase Compound ID nyjRVaBZhk
InChI InChI=1S/C52H44O11/c1-33-24-40(27-42(53)45(33)50(55)61-32-39-22-14-7-15-23-39)62-51(56)46-34(2)25-41(28-43(46)54)63-52(57)47-35(3)26-44(58-29-36-16-8-4-9-17-36)48(59-30-37-18-10-5-11-19-37)49(47)60-31-38-20-12-6-13-21-38/h4-28,53-54H,29-32H2,1-3H3
InChIKey YCGHJPRSGDOBGL-UHFFFAOYSA-N
Mol Weight 844.9 g/mol
Molecular Formula C52H44O11
Exact Mass 844.288362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bB55x1VoBm
Name Benzyl 2,4-di-(o-benzyl)-3-benzyloxygyrophorate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 844.288362226 u
Formula C52H44O11
InChI InChI=1S/C52H44O11/c1-33-24-40(27-42(53)45(33)50(55)61-32-39-22-14-7-15-23-39)62-51(56)46-34(2)25-41(28-43(46)54)63-52(57)47-35(3)26-44(58-29-36-16-8-4-9-17-36)48(59-30-37-18-10-5-11-19-37)49(47)60-31-38-20-12-6-13-21-38/h4-28,53-54H,29-32H2,1-3H3
InChIKey YCGHJPRSGDOBGL-UHFFFAOYSA-N
Molecular Weight 844.913 g/mol
SMILES C1(=C(C(OCC2=CC=CC=C2)=C(C=C1C)OCC1=CC=CC=C1)OCC=1C=CC=CC1)C(OC=1C=C(O)C(=C(C1)C)C(OC=1C=C(O)C(=C(C1)C)C(OCC1=CC=CC=C1)=O)=O)=O