SpectraBase Compound ID | 7OLsnuR7c6Q |
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InChI | InChI=1S/C25H48O5/c1-4-6-8-9-10-14-20-29-24(26)16-12-11-13-17-25(27)30-22-19-23(15-7-5-2)18-21-28-3/h23H,4-22H2,1-3H3 |
InChIKey | UNWBODITQRQZBH-UHFFFAOYSA-N |
Mol Weight | 428.7 g/mol |
Molecular Formula | C25H48O5 |
Exact Mass | 428.350175 g/mol |
SpectraBase Spectrum ID | IvorMcHU8AP |
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Name | Pimelic acid, 3-(2-methoxyethyl)heptyl octyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 428.350174641 u |
Formula | C25H48O5 |
InChI | InChI=1S/C25H48O5/c1-4-6-8-9-10-14-20-29-24(26)16-12-11-13-17-25(27)30-22-19-23(15-7-5-2)18-21-28-3/h23H,4-22H2,1-3H3 |
InChIKey | UNWBODITQRQZBH-UHFFFAOYSA-N |
Molecular Weight | 428.654 g/mol |
SMILES | C(OCCC(CCOC)CCCC)(=O)CCCCCC(OCCCCCCCC)=O |