| SpectraBase Spectrum ID |
F6juYDnDgft |
| Name |
Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(3-oxopentyl)benzoyl]oxy]-6-(3-oxopentyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.173332473 u |
| Formula |
C25H28O9 |
| InChI |
InChI=1S/C25H28O9/c1-4-6-16(26)8-14-11-19(13-20(28)22(14)24(30)31)34-25(32)23-15(9-17(27)7-5-2)10-18(33-3)12-21(23)29/h10-13,28-29H,4-9H2,1-3H3,(H,30,31) |
| InChIKey |
QZZMDINWSWWNKM-UHFFFAOYSA-N |
| Molecular Weight |
472.490 g/mol |
| SMILES |
C1(C(OC2=CC(O)=C(C(=C2)CC(=O)CCC)C(=O)O)=O)=C(C=C(C=C1O)OC)CC(=O)CCC |
![Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(3-oxopentyl)benzoyl]oxy]-6-(3-oxopentyl)-](/api/spectrum/F6juYDnDgft/structure.png?h=300&w=458 "Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(3-oxopentyl)benzoyl]oxy]-6-(3-oxopentyl)-")
