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Glutaric acid, tridec-2-yn-1-yl 8-chlorooctyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 8-chlorooctyl ester
SpectraBase Compound ID BQkVQhuAApS
InChI InChI=1S/C26H45ClO4/c1-2-3-4-5-6-7-8-9-11-14-17-23-30-25(28)20-19-21-26(29)31-24-18-15-12-10-13-16-22-27/h2-13,15-16,18-24H2,1H3
InChIKey ZEYFKDFMUIOFRN-UHFFFAOYSA-N
Mol Weight 457.1 g/mol
Molecular Formula C26H45ClO4
Exact Mass 456.300638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LuBTvXbk4SD
Name Glutaric acid, tridec-2-yn-1-yl 8-chlorooctyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.300637625 u
Formula C26H45ClO4
InChI InChI=1S/C26H45ClO4/c1-2-3-4-5-6-7-8-9-11-14-17-23-30-25(28)20-19-21-26(29)31-24-18-15-12-10-13-16-22-27/h2-13,15-16,18-24H2,1H3
InChIKey ZEYFKDFMUIOFRN-UHFFFAOYSA-N
Molecular Weight 457.095 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OCCCCCCCCCl)=O