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Phthalic acid, 2-isopropoxyphenyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-isopropoxyphenyl pentyl ester
SpectraBase Compound ID 2gu7gGxdL4f
InChI InChI=1S/C22H26O5/c1-4-5-10-15-25-21(23)17-11-6-7-12-18(17)22(24)27-20-14-9-8-13-19(20)26-16(2)3/h6-9,11-14,16H,4-5,10,15H2,1-3H3
InChIKey RNEVDFKSQKUBEB-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 J8H30flFIOy
Name Phthalic acid, 2-isopropoxyphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-4-5-10-15-25-21(23)17-11-6-7-12-18(17)22(24)27-20-14-9-8-13-19(20)26-16(2)3/h6-9,11-14,16H,4-5,10,15H2,1-3H3
InChIKey RNEVDFKSQKUBEB-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES C(C1=C(C(OCCCCC)=O)C=CC=C1)(OC1=C(C=CC=C1)OC(C)C)=O