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Succinic acid, cyclohexylmethyl 4-bromo-2-methoxyphenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, cyclohexylmethyl 4-bromo-2-methoxyphenyl ester
SpectraBase Compound ID 1Zj73kEMCXd
InChI InChI=1S/C18H23BrO5/c1-22-16-11-14(19)7-8-15(16)24-18(21)10-9-17(20)23-12-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3
InChIKey KQEFSTWKYXEOPU-UHFFFAOYSA-N
Mol Weight 399.28 g/mol
Molecular Formula C18H23BrO5
Exact Mass 398.072887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xuxaUDa2AQ
Name Succinic acid, cyclohexylmethyl 4-bromo-2-methoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.072886836 u
Formula C18H23BrO5
InChI InChI=1S/C18H23BrO5/c1-22-16-11-14(19)7-8-15(16)24-18(21)10-9-17(20)23-12-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3
InChIKey KQEFSTWKYXEOPU-UHFFFAOYSA-N
Molecular Weight 399.281 g/mol
SMILES C(CC(OCC1CCCCC1)=O)C(OC1=C(C=C(C=C1)Br)OC)=O