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Isoobtusol acetate
SpectraBase Compound ID 22pvAl94rXf
InChI InChI=1S/C17H25Br2ClO2/c1-10-8-12(22-11(2)21)14(18)15(3,4)17(10)7-6-16(5,19)13(20)9-17/h12-14H,1,6-9H2,2-5H3
InChIKey LCTBUAFKAFMZQT-UHFFFAOYSA-N
Mol Weight 456.65 g/mol
Molecular Formula C17H25Br2ClO2
Exact Mass 453.990984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2D0sXugU7rB
Name Isoobtusol acetate
CAS Registry Number 81445-90-1
Comments reassigned
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Formula C17H25Br2ClO2
InChI InChI=1S/C17H25Br2ClO2/c1-10-8-12(22-11(2)21)14(18)15(3,4)17(10)7-6-16(5,19)13(20)9-17/h12-14H,1,6-9H2,2-5H3
InChIKey LCTBUAFKAFMZQT-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference F.J. Schmitz, D.P. Michaud, P.G. Schmidt, J. Am. Chem. Soc. 104, 6415 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3