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Glutaric acid, hex-4-yn-3-yl 2-ethylhexyl ester
SpectraBase Compound ID LC2ifXUJRlL
InChI InChI=1S/C19H32O4/c1-5-9-12-16(7-3)15-22-18(20)13-10-14-19(21)23-17(8-4)11-6-2/h16-17H,5,7-10,12-15H2,1-4H3
InChIKey BLGYWIHFZXBUJM-UHFFFAOYSA-N
Mol Weight 324.5 g/mol
Molecular Formula C19H32O4
Exact Mass 324.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JkC6sBvUbXB
Name Glutaric acid, hex-4-yn-3-yl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.230059506 u
Formula C19H32O4
InChI InChI=1S/C19H32O4/c1-5-9-12-16(7-3)15-22-18(20)13-10-14-19(21)23-17(8-4)11-6-2/h16-17H,5,7-10,12-15H2,1-4H3
InChIKey BLGYWIHFZXBUJM-UHFFFAOYSA-N
Molecular Weight 324.461 g/mol
SMILES C(CCC(OC(CC)C#CC)=O)C(OCC(CC)CCCC)=O