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Fumaric acid, 2-methoxyphenyl cyclohexylmethyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-methoxyphenyl cyclohexylmethyl ester
SpectraBase Compound ID 5u6FIwLl3WM
InChI InChI=1S/C18H22O5/c1-21-15-9-5-6-10-16(15)23-18(20)12-11-17(19)22-13-14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8,13H2,1H3/b12-11+
InChIKey UZFWSYVAHCBDFQ-VAWYXSNFSA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vHaPaASmXf
Name Fumaric acid, 2-methoxyphenyl cyclohexylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.146723803 u
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-21-15-9-5-6-10-16(15)23-18(20)12-11-17(19)22-13-14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8,13H2,1H3/b12-11+
InChIKey UZFWSYVAHCBDFQ-VAWYXSNFSA-N
Molecular Weight 318.369 g/mol
SMILES C(\C=C\C(OCC1CCCCC1)=O)(OC1=C(OC)C=CC=C1)=O