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Glutaric acid, 2-ethylhexyl diphenylmethyl ester
SpectraBase Compound ID IpSVlkXSNkb
InChI InChI=1S/C26H34O4/c1-3-5-13-21(4-2)20-29-24(27)18-12-19-25(28)30-26(22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-11,14-17,21,26H,3-5,12-13,18-20H2,1-2H3
InChIKey GILRAQLIUAFGEP-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaJDVQrolb8
Name Glutaric acid, 2-ethylhexyl diphenylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-3-5-13-21(4-2)20-29-24(27)18-12-19-25(28)30-26(22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-11,14-17,21,26H,3-5,12-13,18-20H2,1-2H3
InChIKey GILRAQLIUAFGEP-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C(CCC(OCC(CCCC)CC)=O)C(OC(C=1C=CC=CC1)C1=CC=CC=C1)=O