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Isophthalic acid, 4-isopropylphenyl decyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 4-isopropylphenyl decyl ester
SpectraBase Compound ID GPkrUHJtsdi
InChI InChI=1S/C27H36O4/c1-4-5-6-7-8-9-10-11-19-30-26(28)23-13-12-14-24(20-23)27(29)31-25-17-15-22(16-18-25)21(2)3/h12-18,20-21H,4-11,19H2,1-3H3
InChIKey XQUABHHGIKFHLE-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hwp1U9WG8Mo
Name Isophthalic acid, 4-isopropylphenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-4-5-6-7-8-9-10-11-19-30-26(28)23-13-12-14-24(20-23)27(29)31-25-17-15-22(16-18-25)21(2)3/h12-18,20-21H,4-11,19H2,1-3H3
InChIKey XQUABHHGIKFHLE-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES C1(=CC=C(C=C1)OC(C1=CC(=CC=C1)C(OCCCCCCCCCC)=O)=O)C(C)C