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Glutaric acid, hex-4-yn-3-yl 4-(4-methoxyphenyl)cyclohexyl ester

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Glutaric acid, hex-4-yn-3-yl 4-(4-methoxyphenyl)cyclohexyl ester
SpectraBase Compound ID 9gNhZP14yyG
InChI InChI=1S/C24H32O5/c1-4-7-20(5-2)28-23(25)8-6-9-24(26)29-22-16-12-19(13-17-22)18-10-14-21(27-3)15-11-18/h10-11,14-15,19-20,22H,5-6,8-9,12-13,16-17H2,1-3H3
InChIKey AYLDFGKAYKLHMR-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9f8ThfhshcB
Name Glutaric acid, hex-4-yn-3-yl 4-(4-methoxyphenyl)cyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.224974125 u
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-4-7-20(5-2)28-23(25)8-6-9-24(26)29-22-16-12-19(13-17-22)18-10-14-21(27-3)15-11-18/h10-11,14-15,19-20,22H,5-6,8-9,12-13,16-17H2,1-3H3
InChIKey AYLDFGKAYKLHMR-UHFFFAOYSA-N
Molecular Weight 400.515 g/mol
SMILES C(CCC(OC(CC)C#CC)=O)C(OC1CCC(C2=CC=C(OC)C=C2)CC1)=O