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dimethyl 2-(3-bromophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate

View entire compound with spectra: 1 NMR

dimethyl 2-(3-bromophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
SpectraBase Compound ID 6NIz63Xe9GX
InChI InChI=1S/C17H19BrO6/c1-17(22)8-11(19)13(15(20)23-2)12(14(17)16(21)24-3)9-5-4-6-10(18)7-9/h4-7,12-14,22H,8H2,1-3H3
InChIKey WKJCWCYWGAZBJM-UHFFFAOYSA-N
Mol Weight 399.24 g/mol
Molecular Formula C17H19BrO6
Exact Mass 398.036501 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LoRR3003RIF
Name dimethyl 2-(3-bromophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.036501326 u
Formula C17H19BrO6
InChI InChI=1S/C17H19BrO6/c1-17(22)8-11(19)13(15(20)23-2)12(14(17)16(21)24-3)9-5-4-6-10(18)7-9/h4-7,12-14,22H,8H2,1-3H3
InChIKey WKJCWCYWGAZBJM-UHFFFAOYSA-N
Molecular Weight 399.237 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3572
Solvent DMSO-d6
Source Vendor ID: NMR/12289779