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Glutaric acid, tridec-2-yn-1-yl 2,4-dimethylpent-3-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 2,4-dimethylpent-3-yl ester
SpectraBase Compound ID Fx95jfUI4lA
InChI InChI=1S/C25H44O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-28-23(26)18-17-19-24(27)29-25(21(2)3)22(4)5/h21-22,25H,6-14,17-20H2,1-5H3
InChIKey YQNNWTVICNHAMJ-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I1zPYLpYyMR
Name Glutaric acid, tridec-2-yn-1-yl 2,4-dimethylpent-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.323959893 u
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-28-23(26)18-17-19-24(27)29-25(21(2)3)22(4)5/h21-22,25H,6-14,17-20H2,1-5H3
InChIKey YQNNWTVICNHAMJ-UHFFFAOYSA-N
Molecular Weight 408.623 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OC(C(C)C)C(C)C)=O