| SpectraBase Spectrum ID |
9HKfTK23Zma |
| Name |
6-(1,3-benzodioxol-5-yl)-2-hydroxy-6-methyl-2H-pyran-5-one |
| CAS Registry Number |
117056-69-6 |
| Comments |
Edited after expert review for air contamination - Original record with SpectrumID 1250879 moved to the Legacy library |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12O5 |
| InChI |
InChI=1S/C13H12O5/c1-13(11(14)4-5-12(15)18-13)8-2-3-9-10(6-8)17-7-16-9/h2-6,12,15H,7H2,1H3 |
| InChIKey |
PQQDZAMJBMMCCV-UHFFFAOYSA-N |
| Molecular Weight |
248.234 g/mol |
| SMILES |
OC1OC(c2cc3OCOc3cc2)(C(C=C1)=O)C |
| SPLASH |
splash10-0006-9100000000-1301e0f3ff73325969a9 |
| Source of Spectrum |
Y-25-998-1 |
| Synonyms |
6-(1,3-benzodioxol-5-yl)-6-methyl-2-oxidanyl-2H-pyran-5-one |
| Wiley ID |
1820845 |
