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BYHGUTOUTNHUOD-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

BYHGUTOUTNHUOD-UHFFFAOYSA-N
SpectraBase Compound ID 2eNK2YH2YyU
InChI InChI=1S/C44H54F2O2/c1-41(2,3)33-21-29-15-25-13-28(38(46)35(17-25)43(7,8)9)20-32-24-34(42(4,5)6)22-30(40(32)48)16-26-14-27(19-31(23-33)39(29)47)37(45)36(18-26)44(10,11)12/h13-14,17-18,21-24,47-48H,15-16,19-20H2,1-12H3
InChIKey BYHGUTOUTNHUOD-UHFFFAOYSA-N
Mol Weight 652.9 g/mol
Molecular Formula C44H54F2O2
Exact Mass 652.409187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WiSYbaEUkV
Name BYHGUTOUTNHUOD-UHFFFAOYSA-N
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H54F2O2
InChI InChI=1S/C44H54F2O2/c1-41(2,3)33-21-29-15-25-13-28(38(46)35(17-25)43(7,8)9)20-32-24-34(42(4,5)6)22-30(40(32)48)16-26-14-27(19-31(23-33)39(29)47)37(45)36(18-26)44(10,11)12/h13-14,17-18,21-24,47-48H,15-16,19-20H2,1-12H3
InChIKey BYHGUTOUTNHUOD-UHFFFAOYSA-N
Literature Reference Author K.AGBARIA,J.WOEHNERT,S.E.BIALI
Literature Reference Citation J.ORG.CHEM.,66,7059(2001)
Literature Reference DOI 10.1021/jo010509s
Molecular Weight 652.908 g/mol
Solvent CDCl3
Source File Reference UWVN26540