| SpectraBase Spectrum ID |
4KOi4aHGA8B |
| Name |
Benzoic acid, 2,4-dihydroxy-6-pentyl-, 4-carboxy-3-hydroxy-5-propylphenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.167853170 u |
| Formula |
C22H26O7 |
| InChI |
InChI=1S/C22H26O7/c1-3-5-6-8-14-9-15(23)11-17(24)20(14)22(28)29-16-10-13(7-4-2)19(21(26)27)18(25)12-16/h9-12,23-25H,3-8H2,1-2H3,(H,26,27) |
| InChIKey |
PUAFRNVYQFDWKG-UHFFFAOYSA-N |
| Molecular Weight |
402.443 g/mol |
| SMILES |
C=1(C(OC=2C=C(O)C(=C(C2)CCC)C(=O)O)=O)C(=CC(=CC1CCCCC)O)O |
