| SpectraBase Spectrum ID |
4hZX1PqofUJ |
| Name |
benzoic acid (3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester |
| Alternate Name(s) |
benzoic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate
[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] benzoate |
| CAS Registry Number |
21056-52-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O7 |
| InChI |
InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2 |
| InChIKey |
LVFCLUMIBMHAFL-UHFFFAOYSA-N |
| Molecular Weight |
284.264 g/mol |
| SMILES |
OCC1C(C(C(C(O1)OC(=O)c1ccccc1)O)O)O |
| SPLASH |
splash10-0ab9-4900000000-358010332e9449a3a2b5 |
| Source of Spectrum |
W5-1989-12024-1 |
| Wiley ID |
1287514 |
