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Methyl 1-(2-bromo-benzyl)-2-oxo-cyclooctane-1-carboxylate
SpectraBase Compound ID Broiv2MvHlI
InChI InChI=1S/C17H21BrO3/c1-21-16(20)17(11-7-3-2-4-10-15(17)19)12-13-8-5-6-9-14(13)18/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKey ZPVFWJPUKKZAPA-UHFFFAOYSA-N
Mol Weight 353.26 g/mol
Molecular Formula C17H21BrO3
Exact Mass 352.067408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4gtT4PdigQ
Name Methyl 1-(2-bromo-benzyl)-2-oxo-cyclooctane-1-carboxylate
CAS Registry Number 112211-69-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H21BrO3
InChI InChI=1S/C17H21BrO3/c1-21-16(20)17(11-7-3-2-4-10-15(17)19)12-13-8-5-6-9-14(13)18/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKey ZPVFWJPUKKZAPA-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference A.L. Beckwith, D.M. O'Shea, S.W. Westwood, J. Am. Chem. Soc. 110, 2565 (1988).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3