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Disopropyl 2-hydroxy-3-(4-benzyl-3-methoxybenzyl)-1,4-butanodioate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Disopropyl 2-hydroxy-3-(4-benzyl-3-methoxybenzyl)-1,4-butanodioate
SpectraBase Compound ID 2GRWJjfLL7G
InChI InChI=1S/C25H32O7/c1-16(2)31-24(27)20(23(26)25(28)32-17(3)4)13-19-11-12-21(22(14-19)29-5)30-15-18-9-7-6-8-10-18/h6-12,14,16-17,20,23,26H,13,15H2,1-5H3/t20-,23+/m1/s1
InChIKey SFDIAWFLLPKTQT-OFNKIYASSA-N
Mol Weight 444.5 g/mol
Molecular Formula C25H32O7
Exact Mass 444.214803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KROiCfWZvgT
Name Disopropyl 2-hydroxy-3-(4-benzyl-3-methoxybenzyl)-1,4-butanodioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.214803363 u
Formula C25H32O7
InChI InChI=1S/C25H32O7/c1-16(2)31-24(27)20(23(26)25(28)32-17(3)4)13-19-11-12-21(22(14-19)29-5)30-15-18-9-7-6-8-10-18/h6-12,14,16-17,20,23,26H,13,15H2,1-5H3/t20-,23+/m1/s1
InChIKey SFDIAWFLLPKTQT-OFNKIYASSA-N
Molecular Weight 444.524 g/mol
SMILES [C@@](C(OC(C)C)=O)([C@@](C(OC(C)C)=O)(O)[H])(CC=1C=C(OC)C(=CC1)OCC1=CC=CC=C1)[H]