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Glutaric acid, 2-isopropylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-isopropylphenyl tridecyl ester
SpectraBase Compound ID 8hqtjPfcO76
InChI InChI=1S/C27H44O4/c1-4-5-6-7-8-9-10-11-12-13-16-22-30-26(28)20-17-21-27(29)31-25-19-15-14-18-24(25)23(2)3/h14-15,18-19,23H,4-13,16-17,20-22H2,1-3H3
InChIKey ZBMQVUOBMKJKGC-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JspooFgewr3
Name Glutaric acid, 2-isopropylphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-4-5-6-7-8-9-10-11-12-13-16-22-30-26(28)20-17-21-27(29)31-25-19-15-14-18-24(25)23(2)3/h14-15,18-19,23H,4-13,16-17,20-22H2,1-3H3
InChIKey ZBMQVUOBMKJKGC-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES CCCCCCCCCCCCCOC(CCCC(OC1=CC=CC=C1C(C)C)=O)=O