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Phthalic acid, hexyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 2-isopropoxyphenyl ester
SpectraBase Compound ID IzgZiOxhCpe
InChI InChI=1S/C23H28O5/c1-4-5-6-11-16-26-22(24)18-12-7-8-13-19(18)23(25)28-21-15-10-9-14-20(21)27-17(2)3/h7-10,12-15,17H,4-6,11,16H2,1-3H3
InChIKey MSXHHCKPYCLTIZ-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JB5GzyhRGpG
Name Phthalic acid, hexyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.193673997 u
Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-4-5-6-11-16-26-22(24)18-12-7-8-13-19(18)23(25)28-21-15-10-9-14-20(21)27-17(2)3/h7-10,12-15,17H,4-6,11,16H2,1-3H3
InChIKey MSXHHCKPYCLTIZ-UHFFFAOYSA-N
Molecular Weight 384.472 g/mol
SMILES C(C1=C(C(OCCCCCC)=O)C=CC=C1)(OC1=C(C=CC=C1)OC(C)C)=O