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Pimelic acid, decyl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, decyl 2-isopropylphenyl ester
SpectraBase Compound ID 8Kkt4yIEctl
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-16-21-29-25(27)19-12-11-13-20-26(28)30-24-18-15-14-17-23(24)22(2)3/h14-15,17-18,22H,4-13,16,19-21H2,1-3H3
InChIKey QMHGAUJYGGQFMT-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8O07yS5nCze
Name Pimelic acid, decyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-16-21-29-25(27)19-12-11-13-20-26(28)30-24-18-15-14-17-23(24)22(2)3/h14-15,17-18,22H,4-13,16,19-21H2,1-3H3
InChIKey QMHGAUJYGGQFMT-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C(CCCC(OCCCCCCCCCC)=O)CC(OC1=CC=CC=C1C(C)C)=O