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Phthalic acid, 4-methoxybenzyl isohexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-methoxybenzyl isohexyl ester
SpectraBase Compound ID 7xS6xlbcHlN
InChI InChI=1S/C22H26O5/c1-16(2)7-6-14-26-21(23)19-8-4-5-9-20(19)22(24)27-15-17-10-12-18(25-3)13-11-17/h4-5,8-13,16H,6-7,14-15H2,1-3H3
InChIKey DQLMUSZDGQJSCS-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3HBVtfX4zbZ
Name Phthalic acid, 4-methoxybenzyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-16(2)7-6-14-26-21(23)19-8-4-5-9-20(19)22(24)27-15-17-10-12-18(25-3)13-11-17/h4-5,8-13,16H,6-7,14-15H2,1-3H3
InChIKey DQLMUSZDGQJSCS-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=C(C=C1)OC)=O)(=O)OCCCC(C)C