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Glutaric acid, tridec-2-yn-1-yl 1-naphthyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 1-naphthyl ester
SpectraBase Compound ID 4DpkE7GPTLZ
InChI InChI=1S/C28H36O4/c1-2-3-4-5-6-7-8-9-10-11-14-23-31-27(29)21-16-22-28(30)32-26-20-15-18-24-17-12-13-19-25(24)26/h12-13,15,17-20H,2-10,16,21-23H2,1H3
InChIKey ADXNFHALCSTJFF-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C28H36O4
Exact Mass 436.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2UgdkLSp8NO
Name Glutaric acid, tridec-2-yn-1-yl 1-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.261359635 u
Formula C28H36O4
InChI InChI=1S/C28H36O4/c1-2-3-4-5-6-7-8-9-10-11-14-23-31-27(29)21-16-22-28(30)32-26-20-15-18-24-17-12-13-19-25(24)26/h12-13,15,17-20H,2-10,16,21-23H2,1H3
InChIKey ADXNFHALCSTJFF-UHFFFAOYSA-N
Molecular Weight 436.592 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OC=1C2=C(C=CC1)C=CC=C2)=O