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Oxalic acid, 2-isopropylphenyl octadecyl ester

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Oxalic acid, 2-isopropylphenyl octadecyl ester
SpectraBase Compound ID 8RuQo6asWx8
InChI InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-28(30)29(31)33-27-23-20-19-22-26(27)25(2)3/h19-20,22-23,25H,4-18,21,24H2,1-3H3
InChIKey HFYWSHJCDCNFFT-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GfkuShkkbVU
Name Oxalic acid, 2-isopropylphenyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-28(30)29(31)33-27-23-20-19-22-26(27)25(2)3/h19-20,22-23,25H,4-18,21,24H2,1-3H3
InChIKey HFYWSHJCDCNFFT-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(CCCOC(C(=O)OC1=C(C=CC=C1)C(C)C)=O)CCCCCCCCCCCCCC