| SpectraBase Spectrum ID |
1F29ZDroLQ |
| Name |
3,5-Cyclohexadiene-1,2-dione, 5-(hydroxymethyl)-3-methoxy- |
| CAS Registry Number |
77745-42-7 |
| Comments |
Edited after expert review for CHCl3 contamination - Original record with SpectrumID 1164108 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H8O4 |
| InChI |
InChI=1S/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-3,9H,4H2,1H3 |
| InChIKey |
VMIUAZMEMYDNAR-UHFFFAOYSA-N |
| Molecular Weight |
168.148 g/mol |
| SMILES |
OCC1=CC(C(C(=C1)OC)=O)=O |
| SPLASH |
splash10-0563-9100000000-28044924045c027b43ca |
| Source of Spectrum |
W5-0-0-0 |
| Synonyms |
5-(hydroxymethyl)-3-methoxybenzo-1,2-quinone |
| Wiley ID |
1821379 |
