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Sebacic acid, 4-isopropoxyphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-isopropoxyphenyl tetradecyl ester
SpectraBase Compound ID 2A87X22GRn3
InChI InChI=1S/C33H56O5/c1-4-5-6-7-8-9-10-11-12-15-18-21-28-36-32(34)22-19-16-13-14-17-20-23-33(35)38-31-26-24-30(25-27-31)37-29(2)3/h24-27,29H,4-23,28H2,1-3H3
InChIKey QTXOAQGXJIIQND-UHFFFAOYSA-N
Mol Weight 532.8 g/mol
Molecular Formula C33H56O5
Exact Mass 532.412775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gPq7HmbkfC
Name Sebacic acid, 4-isopropoxyphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 532.412774898 u
Formula C33H56O5
InChI InChI=1S/C33H56O5/c1-4-5-6-7-8-9-10-11-12-15-18-21-28-36-32(34)22-19-16-13-14-17-20-23-33(35)38-31-26-24-30(25-27-31)37-29(2)3/h24-27,29H,4-23,28H2,1-3H3
InChIKey QTXOAQGXJIIQND-UHFFFAOYSA-N
Molecular Weight 532.806 g/mol
SMILES C(CCCCCCCC(OC1=CC=C(OC(C)C)C=C1)=O)C(OCCCCCCCCCCCCCC)=O