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(1R,3R,5S)-5-(4-Methoxybenzoyl)-1,3-bis(methoxycarbonyl)cyclohexane

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(1R,3R,5S)-5-(4-Methoxybenzoyl)-1,3-bis(methoxycarbonyl)cyclohexane
SpectraBase Compound ID Boh9KBBcxsv
InChI InChI=1S/C11H16O6/c1-16-10(14)7-3-6(9(12)13)4-8(5-7)11(15)17-2/h6-8H,3-5H2,1-2H3,(H,12,13)/t6-,7+,8-
InChIKey PZFDNDQDHXLHPE-RNLVFQAGSA-N
Mol Weight 244.24 g/mol
Molecular Formula C11H16O6
Exact Mass 244.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QFh5f5iahM
Name (1R,3R,5S)-5-(4-Methoxybenzoyl)-1,3-bis(methoxycarbonyl)cyclohexane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.094688229 u
Formula C11H16O6
InChI InChI=1S/C11H16O6/c1-16-10(14)7-3-6(9(12)13)4-8(5-7)11(15)17-2/h6-8H,3-5H2,1-2H3,(H,12,13)/t6-,7+,8-
InChIKey PZFDNDQDHXLHPE-RNLVFQAGSA-N
Molecular Weight 244.243 g/mol
SMILES [C@]1(C(=O)O)(C[C@](C(=O)OC)(C[C@@](C1)(C(=O)OC)[H])[H])[H]