| SpectraBase Spectrum ID |
HoD0dSnXnHI |
| Name |
Benzoic acid, 2,4-dihydroxy-6-(3-oxopentyl)-, 4-carboxy-3-hydroxy-5-pentylphenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.178417854 u |
| Formula |
C24H28O8 |
| InChI |
InChI=1S/C24H28O8/c1-3-5-6-7-14-11-18(13-20(28)21(14)23(29)30)32-24(31)22-15(8-9-16(25)4-2)10-17(26)12-19(22)27/h10-13,26-28H,3-9H2,1-2H3,(H,29,30) |
| InChIKey |
KFKDPBHDQRZEBN-UHFFFAOYSA-N |
| Molecular Weight |
444.480 g/mol |
| SMILES |
C=1(C(OC=2C=C(O)C(=C(C2)CCCCC)C(=O)O)=O)C(=CC(=CC1CCC(=O)CC)O)O |
