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Glutaric acid, hex-4-yn-3-yl 2-naphthyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hex-4-yn-3-yl 2-naphthyl ester
SpectraBase Compound ID EIj2Gir0JMC
InChI InChI=1S/C21H22O4/c1-3-8-18(4-2)24-20(22)11-7-12-21(23)25-19-14-13-16-9-5-6-10-17(16)15-19/h5-6,9-10,13-15,18H,4,7,11-12H2,1-2H3
InChIKey JMWSBWWBMPLUDU-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChpjPMYrhPS
Name Glutaric acid, hex-4-yn-3-yl 2-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 338.151809184 u
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-3-8-18(4-2)24-20(22)11-7-12-21(23)25-19-14-13-16-9-5-6-10-17(16)15-19/h5-6,9-10,13-15,18H,4,7,11-12H2,1-2H3
InChIKey JMWSBWWBMPLUDU-UHFFFAOYSA-N
Molecular Weight 338.403 g/mol
SMILES C(CCC(OC(CC)C#CC)=O)C(OC=1C=CC2=CC=CC=C2C1)=O