| SpectraBase Spectrum ID |
k4nSub3YPX |
| Name |
Benzoic acid, 3,4,6-trihydroxy-2-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.068867403 u |
| Formula |
C16H14O8 |
| InChI |
InChI=1S/C16H14O8/c1-6-3-8(4-9(17)12(6)15(21)22)24-16(23)13-7(2)14(20)11(19)5-10(13)18/h3-5,17-20H,1-2H3,(H,21,22) |
| InChIKey |
ROFBXDQOPDYPQI-UHFFFAOYSA-N |
| Molecular Weight |
334.280 g/mol |
| SMILES |
C=1(C(OC=2C=C(O)C(=C(C2)C)C(=O)O)=O)C(=C(O)C(=CC1O)O)C |
