| SpectraBase Spectrum ID |
Jg6bgb6RXnW |
| Name |
Benzoic acid, 2,4-dihydroxy-6-(2-oxopentyl)-, 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 |
416.147117725 u |
| Formula |
C22H24O8 |
| InChI |
InChI=1S/C22H24O8/c1-3-5-12-9-16(11-18(26)19(12)21(27)28)30-22(29)20-13(7-14(23)6-4-2)8-15(24)10-17(20)25/h8-11,24-26H,3-7H2,1-2H3,(H,27,28) |
| InChIKey |
NXXLFSOYYDAXLM-UHFFFAOYSA-N |
| Molecular Weight |
416.426 g/mol |
| SMILES |
C1(C(OC2=CC(O)=C(C(=C2)CCC)C(=O)O)=O)=C(C=C(C=C1O)O)CC(=O)CCC |
