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Dimethyl 3,4,6-tris(t-butyl)-5-isopropylphthalate

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Dimethyl 3,4,6-tris(t-butyl)-5-isopropylphthalate
SpectraBase Compound ID G5Jhkenwh7U
InChI InChI=1S/C25H40O4/c1-14(2)15-18(23(3,4)5)16(21(26)28-12)17(22(27)29-13)20(25(9,10)11)19(15)24(6,7)8/h14H,1-13H3
InChIKey IJKRNRVSIDMHNW-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFYhKV2KYpp
Name Dimethyl 3,4,6-tris(T-butyl)-5-isopropylphthalate
Comments Computed using HOSE algorithm
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Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-14(2)15-18(23(3,4)5)16(21(26)28-12)17(22(27)29-13)20(25(9,10)11)19(15)24(6,7)8/h14H,1-13H3
InChIKey IJKRNRVSIDMHNW-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C=1(C(=C(C(C)(C)C)C(=C(C1C(C)(C)C)C(C)C)C(C)(C)C)C(=O)OC)C(=O)OC