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Glutaric acid, tridec-2-yn-1-yl 2,4,4-trimethylpentyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glutaric acid, tridec-2-yn-1-yl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID CkFjCOcENP0
InChI InChI=1S/C26H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-29-24(27)18-17-19-25(28)30-22-23(2)21-26(3,4)5/h23H,6-14,17-22H2,1-5H3
InChIKey JHYLAFDVGIIDIY-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fe8AKXOQS2l
Name Glutaric acid, tridec-2-yn-1-yl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-29-24(27)18-17-19-25(28)30-22-23(2)21-26(3,4)5/h23H,6-14,17-22H2,1-5H3
InChIKey JHYLAFDVGIIDIY-UHFFFAOYSA-N
Molecular Weight 422.650 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OCC(CC(C)(C)C)C)=O