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Sebacic acid, 2-isopropylphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-isopropylphenyl tetradecyl ester
SpectraBase Compound ID IXZLZeCWAo4
InChI InChI=1S/C33H56O4/c1-4-5-6-7-8-9-10-11-12-15-18-23-28-36-32(34)26-19-16-13-14-17-20-27-33(35)37-31-25-22-21-24-30(31)29(2)3/h21-22,24-25,29H,4-20,23,26-28H2,1-3H3
InChIKey PHQSDMDIMJECNV-UHFFFAOYSA-N
Mol Weight 516.8 g/mol
Molecular Formula C33H56O4
Exact Mass 516.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LudpP0ISRlq
Name Sebacic acid, 2-isopropylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 516.417860279 u
Formula C33H56O4
InChI InChI=1S/C33H56O4/c1-4-5-6-7-8-9-10-11-12-15-18-23-28-36-32(34)26-19-16-13-14-17-20-27-33(35)37-31-25-22-21-24-30(31)29(2)3/h21-22,24-25,29H,4-20,23,26-28H2,1-3H3
InChIKey PHQSDMDIMJECNV-UHFFFAOYSA-N
Molecular Weight 516.807 g/mol
SMILES C(CCCCCCCC(OC=1C(C(C)C)=CC=CC1)=O)C(OCCCCCCCCCCCCCC)=O