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

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

(1S,3R,5R)-5-(4-Methoxybenzyl)-1,3-bis(methoxycarbonyl)cyclohexane
SpectraBase Compound ID 3PPDWqsBTdY
InChI InChI=1S/C18H24O5/c1-21-16-6-4-12(5-7-16)8-13-9-14(17(19)22-2)11-15(10-13)18(20)23-3/h4-7,13-15H,8-11H2,1-3H3/t13-,14+,15-
InChIKey VUCPXEVQQDKWCD-QDMKHBRRSA-N
Mol Weight 320.39 g/mol
Molecular Formula C18H24O5
Exact Mass 320.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FNxbe40XNXm
Name (1S,3R,5R)-5-(4-Methoxybenzyl)-1,3-bis(methoxycarbonyl)cyclohexane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.162373868 u
Formula C18H24O5
InChI InChI=1S/C18H24O5/c1-21-16-6-4-12(5-7-16)8-13-9-14(17(19)22-2)11-15(10-13)18(20)23-3/h4-7,13-15H,8-11H2,1-3H3/t13-,14+,15-
InChIKey VUCPXEVQQDKWCD-QDMKHBRRSA-N
Molecular Weight 320.385 g/mol
SMILES [C@]1(C(=O)OC)(C[C@](C(=O)OC)(C[C@](C1)(CC=1C=CC(=CC1)OC)[H])[H])[H]