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Phthalic acid, decyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2-isopropoxyphenyl ester
SpectraBase Compound ID HVDpjqfpT9r
InChI InChI=1S/C27H36O5/c1-4-5-6-7-8-9-10-15-20-30-26(28)22-16-11-12-17-23(22)27(29)32-25-19-14-13-18-24(25)31-21(2)3/h11-14,16-19,21H,4-10,15,20H2,1-3H3
InChIKey FDWIFSCJLUDEMD-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C27H36O5
Exact Mass 440.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Ofw6XHzR6N
Name Phthalic acid, decyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.256274254 u
Formula C27H36O5
InChI InChI=1S/C27H36O5/c1-4-5-6-7-8-9-10-15-20-30-26(28)22-16-11-12-17-23(22)27(29)32-25-19-14-13-18-24(25)31-21(2)3/h11-14,16-19,21H,4-10,15,20H2,1-3H3
InChIKey FDWIFSCJLUDEMD-UHFFFAOYSA-N
Molecular Weight 440.580 g/mol
SMILES C(C1=C(C(OCCCCCCCCCC)=O)C=CC=C1)(OC1=C(C=CC=C1)OC(C)C)=O