SpectraBase Compound ID | GMoWEl8uoDK |
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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 |
SpectraBase Spectrum ID | 7vlpiuKySlV |
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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 |