| SpectraBase Spectrum ID |
GRsdd49LJ0J |
| Name |
Benzoic acid, 2-hydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pe ntyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.194067918 u |
| Formula |
C24H30O8 |
| InChI |
InChI=1S/C24H30O8/c1-5-7-8-10-15-12-18(31-4)22(21(26)20(15)23(27)28)32-24(29)19-14(9-6-2)11-16(30-3)13-17(19)25/h11-13,25-26H,5-10H2,1-4H3,(H,27,28) |
| InChIKey |
WATNDISBDDAASP-UHFFFAOYSA-N |
| Molecular Weight |
446.496 g/mol |
| SMILES |
C=1(C(=C(OC(C=2C(=CC(=CC2CCC)OC)O)=O)C(=CC1CCCCC)OC)O)C(=O)O |
![Benzoic acid, 2-hydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pe ntyl-](/api/spectrum/GRsdd49LJ0J/structure.png?h=300&w=458 "Benzoic acid, 2-hydroxy-3-[(2-hydroxy-4-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-pe ntyl-")
