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(1S,2S,4R,8R)-1,2-Dibromo-8-hydroxy-P-menth-3',5'-dinitrobenzoate

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(1S,2S,4R,8R)-1,2-Dibromo-8-hydroxy-P-menth-3',5'-dinitrobenzoate
SpectraBase Compound ID 4O36IweMVnm
InChI InChI=1S/C17H20Br2N2O7/c1-16(19)4-3-11(7-14(16)18)17(2,23)9-28-15(22)10-5-12(20(24)25)8-13(6-10)21(26)27/h5-6,8,11,14,23H,3-4,7,9H2,1-2H3
InChIKey ANSSCHDDJLDCMF-UHFFFAOYSA-N
Mol Weight 524.16 g/mol
Molecular Formula C17H20Br2N2O7
Exact Mass 521.963727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rt4kMdOiCS
Name (1S,2S,4R,8S)-1,2-Dibromo-8-hydroxy-P-menth-3',5'-dinitrobenzoate
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C17H20Br2N2O7
InChI InChI=1S/C17H20Br2N2O7/c1-16(19)4-3-11(7-14(16)18)17(2,23)9-28-15(22)10-5-12(20(24)25)8-13(6-10)21(26)27/h5-6,8,11,14,23H,3-4,7,9H2,1-2H3
InChIKey ANSSCHDDJLDCMF-UHFFFAOYSA-N
Instrument Name SF = 100 MHz
Literature Reference Austr. J. Chem. 39, 21 (1986).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3