| SpectraBase Spectrum ID |
5BcFiARcvtJ |
| Name |
4-[3-(3,5-Diketohexyl)-1,4-diketo-2-naphthyl]-3-keto-butyric acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.120902977 u |
| Formula |
C21H20O7 |
| InChI |
InChI=1S/C21H20O7/c1-12(22)9-13(23)7-8-17-18(10-14(24)11-19(25)28-2)21(27)16-6-4-3-5-15(16)20(17)26/h3-6H,7-11H2,1-2H3 |
| InChIKey |
DKAIUEHQBNGMKI-UHFFFAOYSA-N |
| Molecular Weight |
384.384 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2)CCC(CC(=O)C)=O)CC(CC(=O)OC)=O |
![4-[3-(3,5-Diketohexyl)-1,4-diketo-2-naphthyl]-3-keto-butyric acid methyl ester](/api/spectrum/5BcFiARcvtJ/structure.png?h=300&w=458 "4-[3-(3,5-Diketohexyl)-1,4-diketo-2-naphthyl]-3-keto-butyric acid methyl ester")
