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3-BROMO-6,7-EPOXY-2-HYDROXY-2,3,6,7-TETRA-HYDRO-SQUALENE
SpectraBase Compound ID FtYCnJXagq6
InChI InChI=1S/C30H51BrO2/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)19-20-28-30(8,33-28)22-21-27(31)29(6,7)32/h13-15,18,27-28,32H,9-12,16-17,19-22H2,1-8H3/b24-14+,25-18+,26-15+
InChIKey WGXOYLSHVXVTJY-IEYWHCGYSA-N
Mol Weight 523.6 g/mol
Molecular Formula C30H51BrO2
Exact Mass 522.307244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJgsulXEXZf
Name 3-BROMO-6,7-EPOXY-2-HYDROXY-2,3,6,7-TETRA-HYDRO-SQUALENE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H51BrO2
InChI InChI=1S/C30H51BrO2/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)19-20-28-30(8,33-28)22-21-27(31)29(6,7)32/h13-15,18,27-28,32H,9-12,16-17,19-22H2,1-8H3/b24-14+,25-18+,26-15+
InChIKey WGXOYLSHVXVTJY-IEYWHCGYSA-N
Literature Reference Author J.L.ABAD,J.CASAS,F.SANCHEZ-BAEZA,A.MESSEGUER
Literature Reference Citation J.ORG.CHEM.,58,3991(1993)
Literature Reference DOI 10.1021/jo00067a036
Molecular Weight 523.638 g/mol
Solvent CDCl3
Source File Reference UWRU964