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3,4,5-TRIS-(HEXADECYLOXY)-BENZYLIC-ALCOHOL

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3,4,5-TRIS-(HEXADECYLOXY)-BENZYLIC-ALCOHOL
SpectraBase Compound ID 44SEe7a3IWY
InChI InChI=1S/C55H104O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-57-53-49-52(51-56)50-54(58-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55(53)59-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h49-50,56H,4-48,51H2,1-3H3
InChIKey XCPQOSBFROGWAS-UHFFFAOYSA-N
Mol Weight 829.4 g/mol
Molecular Formula C55H104O4
Exact Mass 828.793462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xACDlesdBB
Name 3,4,5-TRIS-(HEXADECYLOXY)-BENZYLIC-ALCOHOL
CAS Registry Number 138433-01-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H104O4
InChI InChI=1S/C55H104O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-57-53-49-52(51-56)50-54(58-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55(53)59-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h49-50,56H,4-48,51H2,1-3H3
InChIKey XCPQOSBFROGWAS-UHFFFAOYSA-N
Literature Reference Author F.KOSTEYN,G.ZERBAN,H.MEIER
Literature Reference Citation CHEM.BER.,125,893(1992)
Literature Reference DOI 10.1002/cber.19921250421
Molecular Weight 829.428 g/mol
Solvent CDCl3
Source File Reference UWCS7824