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Glutaric acid, tetradecyl 2,4,4-trimethylpentyl ester

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Glutaric acid, tetradecyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID 8OgjWWkkbZr
InChI InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-30-25(28)19-18-20-26(29)31-23-24(2)22-27(3,4)5/h24H,6-23H2,1-5H3
InChIKey UHDRXTCMPKURGH-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H52O4
Exact Mass 440.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EnTnLzYLS72
Name Glutaric acid, tetradecyl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.386560150 u
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-30-25(28)19-18-20-26(29)31-23-24(2)22-27(3,4)5/h24H,6-23H2,1-5H3
InChIKey UHDRXTCMPKURGH-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES C(OCC(CC(C)(C)C)C)(=O)CCCC(OCCCCCCCCCCCCCC)=O