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Glutaric acid, tridec-2-yn-1-yl 2,3-dimethylphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 2,3-dimethylphenyl ester
SpectraBase Compound ID D0BajF113jT
InChI InChI=1S/C26H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-21-29-25(27)19-16-20-26(28)30-24-18-15-17-22(2)23(24)3/h15,17-18H,4-12,16,19-21H2,1-3H3
InChIKey SYTGAAYVSCHMHQ-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H38O4
Exact Mass 414.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DRjp6xgwoZD
Name Glutaric acid, tridec-2-yn-1-yl 2,3-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.277009700 u
Formula C26H38O4
InChI InChI=1S/C26H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-21-29-25(27)19-16-20-26(28)30-24-18-15-17-22(2)23(24)3/h15,17-18H,4-12,16,19-21H2,1-3H3
InChIKey SYTGAAYVSCHMHQ-UHFFFAOYSA-N
Molecular Weight 414.586 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OC1=C(C(C)=CC=C1)C)=O