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4-Tert-butylcyclohexyl 5-[(2-chlorophenoxy)methyl]-2-furoate

View entire compound with spectra: 2 NMR

4-Tert-butylcyclohexyl 5-[(2-chlorophenoxy)methyl]-2-furoate
SpectraBase Compound ID E0sbPJmv4f8
InChI InChI=1S/C22H27ClO4/c1-22(2,3)15-8-10-16(11-9-15)27-21(24)20-13-12-17(26-20)14-25-19-7-5-4-6-18(19)23/h4-7,12-13,15-16H,8-11,14H2,1-3H3
InChIKey DCZVRGQHRXYGLK-UHFFFAOYSA-N
Mol Weight 390.91 g/mol
Molecular Formula C22H27ClO4
Exact Mass 390.159787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ee5q3bkqnBH
Name 4-Tert-butylcyclohexyl 5-[(2-chlorophenoxy)methyl]-2-furoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.159787045 u
Formula C22H27ClO4
InChI InChI=1S/C22H27ClO4/c1-22(2,3)15-8-10-16(11-9-15)27-21(24)20-13-12-17(26-20)14-25-19-7-5-4-6-18(19)23/h4-7,12-13,15-16H,8-11,14H2,1-3H3
InChIKey DCZVRGQHRXYGLK-UHFFFAOYSA-N
Molecular Weight 390.907 g/mol
SMILES C=1(C(OC2CCC(C(C)(C)C)CC2)=O)OC(COC2=C(Cl)C=CC=C2)=CC1