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BZGMNDIBBUCENN-VKAPFSNZSA-N

View entire compound with spectra: 2 NMR

BZGMNDIBBUCENN-VKAPFSNZSA-N
SpectraBase Compound ID CfDPzARue1U
InChI InChI=1S/C44H24F8/c45-41(46)29-17-18-30(38-34-22-10-2-1-9-21(22)33(37(29)38)23-11-3-4-12-24(23)34)42(47,48)44(51,52)32-20-19-31(43(41,49)50)39-35-25-13-5-7-15-27(25)36(40(32)39)28-16-8-6-14-26(28)35/h1-20,33-36H/t33-,34+,35-,36+
InChIKey BZGMNDIBBUCENN-VKAPFSNZSA-N
Mol Weight 704.7 g/mol
Molecular Formula C44H24F8
Exact Mass 704.175026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Akp1n2RBZjq
Name BZGMNDIBBUCENN-VKAPFSNZSA-N
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H24F8
InChI InChI=1S/C44H24F8/c45-41(46)29-17-18-30(38-34-22-10-2-1-9-21(22)33(37(29)38)23-11-3-4-12-24(23)34)42(47,48)44(51,52)32-20-19-31(43(41,49)50)39-35-25-13-5-7-15-27(25)36(40(32)39)28-16-8-6-14-26(28)35/h1-20,33-36H/t33-,34+,35-,36+
InChIKey BZGMNDIBBUCENN-VKAPFSNZSA-N
Literature Reference Author M.A.BATTISTE,J.X.DUAN,Y.A.ZHAI,I.GHIVIRIGA,K.A.ABBOUD,W.R.DO LBIER
Literature Reference Citation J.ORG.CHEM.,68,3078(2003)
Literature Reference DOI 10.1021/jo0268815
Molecular Weight 704.662 g/mol
Solvent CDCl3
Source File Reference UWSI22829