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2,2-Dimethylpropanoic acid, hex-4-yn-3-yl ester
SpectraBase Compound ID 16ngwCS5zZi
InChI InChI=1S/C11H18O2/c1-6-8-9(7-2)13-10(12)11(3,4)5/h9H,7H2,1-5H3
InChIKey OHXKMFWHFLPFCX-UHFFFAOYSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFefcXlhEYi
Name 2,2-Dimethylpropanoic acid, hex-4-yn-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.130679818 u
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-6-8-9(7-2)13-10(12)11(3,4)5/h9H,7H2,1-5H3
InChIKey OHXKMFWHFLPFCX-UHFFFAOYSA-N
Molecular Weight 182.263 g/mol
SMILES C(C(=O)OC(CC)C#CC)(C)(C)C