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(4-Bromo-phenacyl) (Z,3R)-(+)-(3-methyl-cyclohexylidene)-acetate

View entire compound with spectra: 1 NMR

(4-Bromo-phenacyl) (Z,3R)-(+)-(3-methyl-cyclohexylidene)-acetate
SpectraBase Compound ID 9C2IbogIw80
InChI InChI=1S/C17H19BrO3/c1-12-3-2-4-13(9-12)10-17(20)21-11-16(19)14-5-7-15(18)8-6-14/h5-8,10,12H,2-4,9,11H2,1H3/b13-10-/t12-/m1/s1
InChIKey VJAKNZJUMWGSNP-YGYTWAPGSA-N
Mol Weight 351.24 g/mol
Molecular Formula C17H19BrO3
Exact Mass 350.051757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5sNZdpM80n9
Name (4-Bromo-phenacyl) (Z,3R)-(+)-(3-methyl-cyclohexylidene)-acetate
CAS Registry Number 85048-29-9
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H19BrO3
InChI InChI=1S/C17H19BrO3/c1-12-3-2-4-13(9-12)10-17(20)21-11-16(19)14-5-7-15(18)8-6-14/h5-8,10,12H,2-4,9,11H2,1H3/b13-10-/t12-/m1/s1
InChIKey VJAKNZJUMWGSNP-YGYTWAPGSA-N
Instrument Name Bruker WH-270
Literature Reference M. Duraisamy, H.M. Walborsky, J. Am. Chem. Soc. 105, 3252 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3