| SpectraBase Spectrum ID |
CkdyAAtt0R6 |
| Name |
5-Hydroxymethylmellein |
| Alternate Name(s) |
(R)-8-hydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12O4 |
| InChI |
InChI=1S/C11H12O4/c1-6-4-8-7(5-12)2-3-9(13)10(8)11(14)15-6/h2-3,6,12-13H,4-5H2,1H3/t6-/m1/s1 |
| InChIKey |
OALPOISXSLLKCP-ZCFIWIBFSA-N |
| Molecular Weight |
208.213 g/mol |
| SMILES |
Oc1ccc(CO)c2c1C(O[C@@](C2)(C)[H])=O |
| SPLASH |
splash10-0a4i-0980000000-18d53e2d24bd21e43b5c |
| Source of Spectrum |
QA-52-839-36 |
| Wiley ID |
1796147 |
