SpectraBase Compound ID | JMWGEm2LVxZ |
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InChI | InChI=1S/C20H30O5/c1-3-4-8-15-24-19(21)9-6-5-7-10-20(22)25-16-17-11-13-18(23-2)14-12-17/h11-14H,3-10,15-16H2,1-2H3 |
InChIKey | YQZZKEBBFWQYBF-UHFFFAOYSA-N |
Mol Weight | 350.46 g/mol |
Molecular Formula | C20H30O5 |
Exact Mass | 350.209324 g/mol |
SpectraBase Spectrum ID | 9gSNnc4xsgh |
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Name | Pimelic acid, 4-methoxybenzyl pentyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 350.209324061 u |
Formula | C20H30O5 |
InChI | InChI=1S/C20H30O5/c1-3-4-8-15-24-19(21)9-6-5-7-10-20(22)25-16-17-11-13-18(23-2)14-12-17/h11-14H,3-10,15-16H2,1-2H3 |
InChIKey | YQZZKEBBFWQYBF-UHFFFAOYSA-N |
Molecular Weight | 350.455 g/mol |
SMILES | C(OCC1=CC=C(C=C1)OC)(=O)CCCCCC(OCCCCC)=O |