SpectraBase Compound ID | BalkO9Sjr7n |
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InChI | InChI=1S/C22H32O5/c1-5-8-9-10-11-16-26-20(24)22(6-2,7-3)21(25)27-19-14-12-18(13-15-19)17(4)23/h12-15H,5-11,16H2,1-4H3 |
InChIKey | SQLZEAAQSFKMSM-UHFFFAOYSA-N |
Mol Weight | 376.5 g/mol |
Molecular Formula | C22H32O5 |
Exact Mass | 376.224974 g/mol |
SpectraBase Spectrum ID | 68FDJ8AtEbl |
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Name | Diethylmalonic acid, 4-acetylphenyl heptyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 376.224974125 u |
Formula | C22H32O5 |
InChI | InChI=1S/C22H32O5/c1-5-8-9-10-11-16-26-20(24)22(6-2,7-3)21(25)27-19-14-12-18(13-15-19)17(4)23/h12-15H,5-11,16H2,1-4H3 |
InChIKey | SQLZEAAQSFKMSM-UHFFFAOYSA-N |
Molecular Weight | 376.493 g/mol |
SMILES | CCC(C(OCCCCCCC)=O)(C(OC1=CC=C(C=C1)C(C)=O)=O)CC |