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Succinic acid, 3-methylbut-2-yl 3-phenoxybenzyl ester
SpectraBase Compound ID DEgx3rny09h
InChI InChI=1S/C22H26O5/c1-16(2)17(3)26-22(24)13-12-21(23)25-15-18-8-7-11-20(14-18)27-19-9-5-4-6-10-19/h4-11,14,16-17H,12-13,15H2,1-3H3
InChIKey BKXKJDNQIDXKHE-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5rL4ziK5aE
Name Succinic acid, 3-methylbut-2-yl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-16(2)17(3)26-22(24)13-12-21(23)25-15-18-8-7-11-20(14-18)27-19-9-5-4-6-10-19/h4-11,14,16-17H,12-13,15H2,1-3H3
InChIKey BKXKJDNQIDXKHE-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES C(CC(OC(C(C)C)C)=O)C(OCC1=CC(OC2=CC=CC=C2)=CC=C1)=O