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Glutaric acid, hex-4-yn-3-yl 3-phenoxybenzyl ester

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Glutaric acid, hex-4-yn-3-yl 3-phenoxybenzyl ester
SpectraBase Compound ID JB0d3fc92Sp
InChI InChI=1S/C24H26O5/c1-3-10-20(4-2)29-24(26)16-9-15-23(25)27-18-19-11-8-14-22(17-19)28-21-12-6-5-7-13-21/h5-8,11-14,17,20H,4,9,15-16,18H2,1-2H3
InChIKey SBYGSDUIILINPF-UHFFFAOYSA-N
Mol Weight 394.47 g/mol
Molecular Formula C24H26O5
Exact Mass 394.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DvYLAoePyRV
Name Glutaric acid, hex-4-yn-3-yl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.178023932 u
Formula C24H26O5
InChI InChI=1S/C24H26O5/c1-3-10-20(4-2)29-24(26)16-9-15-23(25)27-18-19-11-8-14-22(17-19)28-21-12-6-5-7-13-21/h5-8,11-14,17,20H,4,9,15-16,18H2,1-2H3
InChIKey SBYGSDUIILINPF-UHFFFAOYSA-N
Molecular Weight 394.467 g/mol
SMILES C(CCC(OC(CC)C#CC)=O)C(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O