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Glutaric acid, but-3-yn-2-yl diphenylmethyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, but-3-yn-2-yl diphenylmethyl ester
SpectraBase Compound ID 98M4gyrkda7
InChI InChI=1S/C22H22O4/c1-3-17(2)25-20(23)15-10-16-21(24)26-22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h1,4-9,11-14,17,22H,10,15-16H2,2H3
InChIKey LXNAPQKUUORICJ-UHFFFAOYSA-N
Mol Weight 350.41 g/mol
Molecular Formula C22H22O4
Exact Mass 350.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pXvpZFDwk7
Name Glutaric acid, but-3-yn-2-yl diphenylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 350.151809184 u
Formula C22H22O4
InChI InChI=1S/C22H22O4/c1-3-17(2)25-20(23)15-10-16-21(24)26-22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h1,4-9,11-14,17,22H,10,15-16H2,2H3
InChIKey LXNAPQKUUORICJ-UHFFFAOYSA-N
Molecular Weight 350.414 g/mol
SMILES C(CCC(OC(C#C)C)=O)C(OC(C=1C=CC=CC1)C1=CC=CC=C1)=O