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Isophthalic acid, 2-isopropoxyphenyl pentyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-isopropoxyphenyl pentyl ester
SpectraBase Compound ID EAScGOqAKwH
InChI InChI=1S/C22H26O5/c1-4-5-8-14-25-21(23)17-10-9-11-18(15-17)22(24)27-20-13-7-6-12-19(20)26-16(2)3/h6-7,9-13,15-16H,4-5,8,14H2,1-3H3
InChIKey PLIMPCQANUOFNE-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 EouK130UQ9l
Name Isophthalic 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/c1-4-5-8-14-25-21(23)17-10-9-11-18(15-17)22(24)27-20-13-7-6-12-19(20)26-16(2)3/h6-7,9-13,15-16H,4-5,8,14H2,1-3H3
InChIKey PLIMPCQANUOFNE-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES C1=CC(OC(C2=CC(=CC=C2)C(OCCCCC)=O)=O)=C(C=C1)OC(C)C