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Phthalic acid, heptyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 2-isopropoxyphenyl ester
SpectraBase Compound ID 348dXVCaQ3r
InChI InChI=1S/C24H30O5/c1-4-5-6-7-12-17-27-23(25)19-13-8-9-14-20(19)24(26)29-22-16-11-10-15-21(22)28-18(2)3/h8-11,13-16,18H,4-7,12,17H2,1-3H3
InChIKey OJVHRPNMPNNKLC-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DseqI9dwtV2
Name Phthalic acid, heptyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.209324061 u
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-4-5-6-7-12-17-27-23(25)19-13-8-9-14-20(19)24(26)29-22-16-11-10-15-21(22)28-18(2)3/h8-11,13-16,18H,4-7,12,17H2,1-3H3
InChIKey OJVHRPNMPNNKLC-UHFFFAOYSA-N
Molecular Weight 398.499 g/mol
SMILES C(C1=C(C(OCCCCCCC)=O)C=CC=C1)(OC1=C(C=CC=C1)OC(C)C)=O