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Glutaric acid, dodecyl non-5-yn-3-yl ester
SpectraBase Compound ID GMoWEl8uoDK
InChI InChI=1S/C26H46O4/c1-4-7-9-11-12-13-14-15-16-18-23-29-25(27)21-19-22-26(28)30-24(6-3)20-17-10-8-5-2/h24H,4-9,11-16,18-23H2,1-3H3
InChIKey YIZYGEPEUMRCGG-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 7vlpiuKySlV
Name Glutaric acid, dodecyl non-5-yn-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-4-7-9-11-12-13-14-15-16-18-23-29-25(27)21-19-22-26(28)30-24(6-3)20-17-10-8-5-2/h24H,4-9,11-16,18-23H2,1-3H3
InChIKey YIZYGEPEUMRCGG-UHFFFAOYSA-N
Molecular Weight 422.650 g/mol
SMILES C(C#CCC(OC(CCCC(OCCCCCCCCCCCC)=O)=O)CC)CC