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Fumaric acid, isohexyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, isohexyl 2-isopropoxyphenyl ester
SpectraBase Compound ID 1cTpfZP9Zua
InChI InChI=1S/C19H26O5/c1-14(2)8-7-13-22-18(20)11-12-19(21)24-17-10-6-5-9-16(17)23-15(3)4/h5-6,9-12,14-15H,7-8,13H2,1-4H3/b12-11+
InChIKey BFCTUOHMGOVZKD-VAWYXSNFSA-N
Mol Weight 334.41 g/mol
Molecular Formula C19H26O5
Exact Mass 334.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1BbHY4izBJv
Name Fumaric acid, isohexyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 334.178023932 u
Formula C19H26O5
InChI InChI=1S/C19H26O5/c1-14(2)8-7-13-22-18(20)11-12-19(21)24-17-10-6-5-9-16(17)23-15(3)4/h5-6,9-12,14-15H,7-8,13H2,1-4H3/b12-11+
InChIKey BFCTUOHMGOVZKD-VAWYXSNFSA-N
Molecular Weight 334.412 g/mol
SMILES C(\C=C\C(OC1=C(C=CC=C1)OC(C)C)=O)(OCCCC(C)C)=O